Geometry & MOs

Info

ID:	253051
PubChem CID:	103115718
Reduced:	ON4C16H16 (1)
Stoich.:	AB4C16D16 (1)
Weight, g/mol:	272.163711
ΔH_f, kcal/mol:	40.65
Dipole, Da:	5.76
IP(EA), eV:	-8.77(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-aminopropyl)-1-methyl-N-(3-methylphenyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC(=C3)CN

DOS

IR

Vibrations