Geometry & MOs

Info

ID:

145308

PubChem CID:

53495917

Reduced:

N11O15C48H85 (1)

Stoich.:

A11B15C48D85 (1)

Weight, g/mol:

264.137497

ΔHf, kcal/mol:

-782.25

Dipole, Da:

17.04

IP(EA), eV:

 -9.41(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1,8-bis(dimethylamino)naphthalene-2,7-dicarbonitrile

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)N

DOS

IR

Vibrations