Geometry & MOs

Info

ID:	52843
PubChem CID:	14709062
Reduced:	O3N5C21H21 (1)
Stoich.:	A3B5C21D21 (1)
Weight, g/mol:	367.128054
ΔH_f, kcal/mol:	50.67
Dipole, Da:	6.7
IP(EA), eV:	-9.02(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3,5-dimethyl-1-(4-nitrophenyl)pyrazol-4-yl]-N-[(E)-furan-2-ylmethylideneamino]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=N/NC(=O)CC2=C(N(N=C2C)C3=CC=C(C=C3)[N+](=O)[O-])C

DOS

IR

Vibrations