Geometry & MOs

Info

ID:	62552
PubChem CID:	26719862
Reduced:	ClNO2C15H16 (1)
Stoich.:	ABC2D15E16 (1)
Weight, g/mol:	314.116761
ΔH_f, kcal/mol:	-74.97
Dipole, Da:	5.34
IP(EA), eV:	-8.66(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-naphthalen-2-yl-4-(1,2,4-triazol-1-yl)benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=C(OC(=C2C)C)C)Cl

DOS

IR

Vibrations