Geometry & MOs

Info

ID:	67178
PubChem CID:	46506011
Reduced:	NO2F3H7C11 (2)
Stoich.:	AB2C3D7E11 (2)
Weight, g/mol:	467.155331
ΔH_f, kcal/mol:	-396.14
Dipole, Da:	4.28
IP(EA), eV:	-9.43(-2.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-methyl-3-nitropyrazol-1-yl)-N-[3-nitro-5-[(Z)-1-pyridin-4-ylethylideneamino]oxyphenyl]butanamide

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2C3=C1C(=O)N(C3=O)C4=CC(=CC(=C4)OCC(F)(F)F)OCC(F)(F)F

DOS

IR

Vibrations