Geometry & MOs

Info

ID:	410665
PubChem CID:	135083466
Reduced:	ON2C18H29 (1)
Stoich.:	AB2C18D29 (1)
Weight, g/mol:	126.104465
ΔH_f, kcal/mol:	-19.42
Dipole, Da:	1.88
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755984
Charge, e:	0

Chem-info

IUPAC name:

(7Z)-2,3,4,5,6,9-hexahydrooxonine

Drug info:

PubChemData

Smile

CCOC(=[N+](C)C)CC(C1=CC=CC=C1)N2CCCCC2

DOS

IR

Vibrations