Geometry & MOs

Info

ID:	236621
PubChem CID:	92714247
Reduced:	O2N3C23H23 (1)
Stoich.:	A2B3C23D23 (1)
Weight, g/mol:	373.179027
ΔH_f, kcal/mol:	-0.56
Dipole, Da:	2.86
IP(EA), eV:	-8.69(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-7-(4-ethylanilino)-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)N[C@@H]2C3=C(C=CC=N3)C(=O)N2CC4=CC=C(C=C4)OC

DOS

IR

Vibrations