Geometry & MOs

Info

ID:	39625
PubChem CID:	8141680
Reduced:	NOH5C6 (3)
Stoich.:	ABC5D6 (3)
Weight, g/mol:	311.08254
ΔH_f, kcal/mol:	-16.21
Dipole, Da:	3.08
IP(EA), eV:	-8.41(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chlorophenyl)methyl]-4-pyrazol-1-ylbenzamide

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)N4C=CC=N4

DOS

IR

Vibrations