Geometry & MOs

Info

ID:	235280
PubChem CID:	92304334
Reduced:	ON3H23C24 (1)
Stoich.:	AB3C23D24 (1)
Weight, g/mol:	408.241293
ΔH_f, kcal/mol:	36.81
Dipole, Da:	2.32
IP(EA), eV:	-8.36(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[(2R)-butan-2-yl]-3-(3,5-dimethoxyphenyl)-3-(1-ethylindol-3-yl)propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@H](CC(=O)NCC2=CC=CC=N2)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations