Geometry & MOs

Info

ID:	254144
PubChem CID:	103123055
Reduced:	ON4C14H18 (1)
Stoich.:	AB4C14D18 (1)
Weight, g/mol:	226.142976
ΔH_f, kcal/mol:	15.86
Dipole, Da:	5.92
IP(EA), eV:	-9.15(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-3-methoxypropyl)-N,1-dimethylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)NC(CC2=CC=CC=C2)CN

DOS

IR

Vibrations