Geometry & MOs

Info

ID:	235251
PubChem CID:	92304284
Reduced:	ON3C26H27 (1)
Stoich.:	AB3C26D27 (1)
Weight, g/mol:	394.225643
ΔH_f, kcal/mol:	29.61
Dipole, Da:	5.49
IP(EA), eV:	-8.31(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[(2R)-butan-2-yl]-3-(3,4-dimethoxyphenyl)-3-(1-methylindol-3-yl)propanamide

Drug info:

PubChemData

Smile

CCN1C=C(C2=CC=CC=C21)[C@H](CC(=O)NCC3=CN=CC=C3)C4=CC=CC(=C4)C

DOS

IR

Vibrations