Geometry & MOs

Info

ID:	62946
PubChem CID:	26737751
Reduced:	N3O6H19C24 (1)
Stoich.:	A3B6C19D24 (1)
Weight, g/mol:	376.153541
ΔH_f, kcal/mol:	-83.84
Dipole, Da:	6.03
IP(EA), eV:	-8.7(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-methyl-3-nitrophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=C(C(=CC=C4)[N+](=O)[O-])C

DOS

IR

Vibrations