Geometry & MOs

Info

ID:	45417
PubChem CID:	10513000
Reduced:	O3C13H14 (1)
Stoich.:	A3B13C14 (1)
Weight, g/mol:	218.105528
ΔH_f, kcal/mol:	-48.68
Dipole, Da:	2.12
IP(EA), eV:	-8.58(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohex-2-en-1-yl-4-nitroaniline

Drug info:

PubChemData

Smile

CC(=C)C#CC1=C(C=CC(=C1CO)OC)O

DOS

IR

Vibrations