Geometry & MOs

Info

ID:	446836
PubChem CID:	135278081
Reduced:	NOC12H17 (1)
Stoich.:	ABC12D17 (1)
Weight, g/mol:	227.1674
ΔH_f, kcal/mol:	-40.64
Dipole, Da:	4.26
IP(EA), eV:	-8.96(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E,6E,8Z)-4-[(4Z)-hexa-1,4-dien-2-yl]-2,6-dimethyl-5H-azonine

Drug info:

PubChemData

Smile

CCCC1=CC=CC=C1N(C)C(=O)C

DOS

IR

Vibrations