Geometry & MOs

Info

ID:	254143
PubChem CID:	103123052
Reduced:	ON4C16H16 (1)
Stoich.:	AB4C16D16 (1)
Weight, g/mol:	258.148061
ΔH_f, kcal/mol:	47.81
Dipole, Da:	2.06
IP(EA), eV:	-9.09(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-amino-3-phenylpropan-2-yl)-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations