Geometry & MOs

Info

ID:	440793
PubChem CID:	135231483
Reduced:	O2N3C21H23 (1)
Stoich.:	A2B3C21D23 (1)
Weight, g/mol:	380.104003
ΔH_f, kcal/mol:	83.72
Dipole, Da:	3.47
IP(EA), eV:	-8.65(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-4-(pyridin-4-ylmethylcarbamoylamino)benzamide

Drug info:

PubChemData

Smile

CC1=NN=C2C=C1C/C(=C(/C)\C(=O)OC(C)C)/N(C3=CC=CC=C32)C=C

DOS

IR

Vibrations