Geometry & MOs

Info

ID:	194533
PubChem CID:	78550250
Reduced:	NOC10H17 (2)
Stoich.:	ABC10D17 (2)
Weight, g/mol:	343.033539
ΔH_f, kcal/mol:	-88.58
Dipole, Da:	5.38
IP(EA), eV:	-8.67(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-chlorophenyl)methylideneamino]-2-nitro-4-(trifluoromethyl)aniline

Drug info:

PubChemData

Smile

CC[NH+]1CCCC1C[NH2+]CC(COC2CCCC3=CC=CC=C23)O

DOS

IR

Vibrations