Geometry & MOs

Info

ID:	235031
PubChem CID:	92303915
Reduced:	NO2C11H13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	382.189257
ΔH_f, kcal/mol:	-106.82
Dipole, Da:	5.56
IP(EA), eV:	-8.72(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide

Drug info:

PubChemData

Smile

COCCNC(=O)C[C@H](C1=C(C(=CC=C1)OC)OC)C2=CNC3=CC=CC=C32

DOS

IR

Vibrations