Geometry & MOs

Info

ID:	156087
PubChem CID:	56369091
Reduced:	INO4C17H18 (1)
Stoich.:	ABC4D17E18 (1)
Weight, g/mol:	424.172225
ΔH_f, kcal/mol:	-99.08
Dipole, Da:	4.34
IP(EA), eV:	-8.75(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[ethyl(propan-2-yl)amino]methyl]-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)C(=O)NCC(C2=CC=CC=C2)O)I)OC

DOS

IR

Vibrations