Geometry & MOs

Info

ID:	70972
PubChem CID:	48414128
Reduced:	ON2C8H8 (2)
Stoich.:	AB2C8D8 (2)
Weight, g/mol:	357.18009
ΔH_f, kcal/mol:	1.14
Dipole, Da:	5.06
IP(EA), eV:	-9.24(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylpiperidin-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=C(OC(=N2)C3=CC=CC=C3)C

DOS

IR

Vibrations