Geometry & MOs

Info

ID:	73578
PubChem CID:	48418252
Reduced:	ClO2N3C18H18 (1)
Stoich.:	AB2C3D18E18 (1)
Weight, g/mol:	319.168462
ΔH_f, kcal/mol:	-26.7
Dipole, Da:	0.85
IP(EA), eV:	-8.53(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[(2-methylphenyl)methyl]-3-(3-methylpyrazol-1-yl)benzamide

Drug info:

PubChemData

Smile

CC(C(=O)NNC(=O)C1=CC=C(C=C1)Cl)N2CCC3=CC=CC=C32

DOS

IR

Vibrations