Geometry & MOs

Info

ID:	145799
PubChem CID:	53594881
Reduced:	O2N4C15H18 (1)
Stoich.:	A2B4C15D18 (1)
Weight, g/mol:	295.106925
ΔH_f, kcal/mol:	-53.07
Dipole, Da:	2.33
IP(EA), eV:	-8.86(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-nitrophenyl)-1-(pyridin-2-ylmethyl)pyrazol-3-amine

Drug info:

PubChemData

Smile

CC(C)NC(=O)NCC(=O)NC1=CC=CC2=C1N=CC=C2

DOS

IR

Vibrations