Geometry & MOs

Info

ID:	70995
PubChem CID:	48414157
Reduced:	O2N5H21C22 (1)
Stoich.:	A2B5C21D22 (1)
Weight, g/mol:	289.117489
ΔH_f, kcal/mol:	50.02
Dipole, Da:	5.6
IP(EA), eV:	-8.63(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(methylamino)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=CN(N=C2C3=CC=CC=C3OC)C4=CC=CC=C4

DOS

IR

Vibrations