Geometry & MOs

Info

ID:	235103
PubChem CID:	92304042
Reduced:	NOC11H13 (2)
Stoich.:	ABC11D13 (2)
Weight, g/mol:	350.199428
ΔH_f, kcal/mol:	-48.64
Dipole, Da:	3.6
IP(EA), eV:	-8.38(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[(2S)-butan-2-yl]-3-(1H-indol-3-yl)-3-(4-methoxyphenyl)propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations