Geometry & MOs

Info

ID:

46885

PubChem CID:

10528123

Reduced:

O6C27H44 (1)

Stoich.:

A6B27C44 (1)

Weight, g/mol:

464.182648

ΔHf, kcal/mol:

-334.16

Dipole, Da:

5.3

IP(EA), eV:

 -9.72(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(dimethylamino)ethyl-[2-[4-[methyl-[(2-methyl-4-nitrophenyl)methoxycarbonyl]amino]phenyl]acetyl]azanium;chloride

Drug info:

PubChemData

Smile

C[C@]12CC[C@H]3C(=CC(=O)[C@H]4[C@@]3(C[C@@H](CC4)O)C)[C@@]1(CC[C@@H]2[C@](C)([C@@H](CCC(C)(C)O)O)O)O

DOS

IR

Vibrations