Geometry & MOs

Info

ID:	253121
PubChem CID:	103116164
Reduced:	ON5H13C14 (1)
Stoich.:	AB5C13D14 (1)
Weight, g/mol:	230.116761
ΔH_f, kcal/mol:	59.93
Dipole, Da:	4.5
IP(EA), eV:	-8.67(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-aminophenyl)methyl]-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CNC(=O)C2=C3C=NC=CN3N=C2)N

DOS

IR

Vibrations