Geometry & MOs

Info

ID:	252215
PubChem CID:	103109833
Reduced:	N2C17H24 (1)
Stoich.:	A2B17C24 (1)
Weight, g/mol:	230.116761
ΔH_f, kcal/mol:	29.57
Dipole, Da:	2.18
IP(EA), eV:	-8.69(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-amino-2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCN(C)CC(C)NCC1=CC2=CC=CC=C2C=C1

DOS

IR

Vibrations