Geometry & MOs

Info

ID:	253076
PubChem CID:	103115866
Reduced:	ON4C16H16 (1)
Stoich.:	AB4C16D16 (1)
Weight, g/mol:	260.127326
ΔH_f, kcal/mol:	52.61
Dipole, Da:	7.0
IP(EA), eV:	-8.95(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(aminomethyl)-2-methoxyphenyl]-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CN(C1=CC=CC(=C1)CN)C(=O)C2=C3C=CC=CN3N=C2

DOS

IR

Vibrations