Geometry & MOs

Info

ID:	189987
PubChem CID:	77936612
Reduced:	O5H18C19 (1)
Stoich.:	A5B18C19 (1)
Weight, g/mol:	331.23
ΔH_f, kcal/mol:	-173.45
Dipole, Da:	5.1
IP(EA), eV:	-10.11(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexa-2,4-dien-1-yl-N-(1-naphthalen-1-ylethyl)cyclohexan-1-amine

Drug info:

PubChemData

Smile

CC1CC(OC1OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

DOS

IR

Vibrations