Geometry & MOs

Info

ID:	235054
PubChem CID:	92303956
Reduced:	N2O3C25H32 (1)
Stoich.:	A2B3C25D32 (1)
Weight, g/mol:	408.241293
ΔH_f, kcal/mol:	-96.4
Dipole, Da:	1.48
IP(EA), eV:	-8.16(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(3,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-methylpropyl)propanamide

Drug info:

PubChemData

Smile

CCC1=C2C(=CC=C1)C(=CN2)[C@@H](CC(=O)NCC(C)C)C3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations