Geometry & MOs

Info

ID:	137487
PubChem CID:	52213802
Reduced:	ON3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	321.111341
ΔH_f, kcal/mol:	-14.72
Dipole, Da:	2.3
IP(EA), eV:	-9.11(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-cyanophenyl)methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)CNC(=O)CN2C(=CC(=N2)C)C)C

DOS

IR

Vibrations