Geometry & MOs

Info

ID:	438051
PubChem CID:	135227564
Reduced:	NC13H19 (1)
Stoich.:	AB13C19 (1)
Weight, g/mol:	259.23
ΔH_f, kcal/mol:	56.01
Dipole, Da:	1.19
IP(EA), eV:	-8.04(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexa-2,4-dien-1-yl-N-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulen-5-amine

Drug info:

PubChemData

Smile

C/C=C\C=C(/C)\N(C)C(=C)/C=C\C=C

DOS

IR

Vibrations