Geometry & MOs

Info

ID:	69706
PubChem CID:	47205214
Reduced:	O2N5C9H9 (1)
Stoich.:	A2B5C9D9 (1)
Weight, g/mol:	275.101839
ΔH_f, kcal/mol:	1.15
Dipole, Da:	3.76
IP(EA), eV:	-9.93(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(methylamino)-3-nitro-N-(1H-pyrazol-5-ylmethyl)benzamide

Drug info:

PubChemData

Smile

C1=CC(=O)NN=C1C(=O)NCC2=CC=NN2

DOS

IR

Vibrations