Geometry & MOs

Info

ID:	335750
PubChem CID:	127254612
Reduced:	O3N4C19H22 (1)
Stoich.:	A3B4C19D22 (1)
Weight, g/mol:	282.122909
ΔH_f, kcal/mol:	-78.74
Dipole, Da:	1.3
IP(EA), eV:	-9.17(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-imidazol-1-ylethyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CC12CC(C(C(=O)N1CCCN3C=CC=N3)C(=O)N)C4=CC=CC=C4O2

DOS

IR

Vibrations