Geometry & MOs

Info

ID:

417513

PubChem CID:

135096995

Reduced:

N5O7C30H47 (1)

Stoich.:

A5B7C30D47 (1)

Weight, g/mol:

379.225977

ΔHf, kcal/mol:

-322.82

Dipole, Da:

4.96

IP(EA), eV:

 -8.95(0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4aR,6R,7aR)-2-methyl-6-[methyl-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]amino]-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-3-one

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](CN(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)OC)CC(C)C)C(=O)CCOC)C(C)C

DOS

IR

Vibrations