Geometry & MOs

Info

ID:	30398
PubChem CID:	841251
Reduced:	NOC8H8 (2)
Stoich.:	ABC8D8 (2)
Weight, g/mol:	301.117489
ΔH_f, kcal/mol:	-25.98
Dipole, Da:	3.04
IP(EA), eV:	-9.02(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(4-nitrophenyl)acetamide

Drug info:

PubChemData

Smile

CC/C(=C/C(=O)C1=CN=CC=C1)/NC2=CC(=CC=C2)O

DOS

IR

Vibrations