Geometry & MOs

Info

ID:	386760
PubChem CID:	134982821
Reduced:	NC13H19 (1)
Stoich.:	AB13C19 (1)
Weight, g/mol:	292.121178
ΔH_f, kcal/mol:	33.08
Dipole, Da:	1.31
IP(EA), eV:	-8.7(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-(4-nitrophenyl)-2-(3-propan-2-ylcyclohepta-2,4,6-trien-1-ylidene)acetonitrile

Drug info:

PubChemData

Smile

CCC(=C1C=CC=C1)N2CCCCC2

DOS

IR

Vibrations