Geometry & MOs

Info

ID:	30559
PubChem CID:	841500
Reduced:	O2N3C18H19 (1)
Stoich.:	A2B3C18D19 (1)
Weight, g/mol:	329.152812
ΔH_f, kcal/mol:	-9.61
Dipole, Da:	0.73
IP(EA), eV:	-8.76(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-cyano-3-(2-methyl-1H-indol-3-yl)-N-[(1S)-1-phenylethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)NNC(=O)[C@H]2C[C@H]2C3=CC=CC=C3

DOS

IR

Vibrations