Geometry & MOs

Info

ID:	262206
PubChem CID:	103276933
Reduced:	NOC18H27 (1)
Stoich.:	ABC18D27 (1)
Weight, g/mol:	321.10921
ΔH_f, kcal/mol:	-37.03
Dipole, Da:	0.75
IP(EA), eV:	-8.58(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(3-bromophenyl)-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CC1CC(CC(=C1)C)CN[C@@H](C)C2=CC=C(C=C2)OC

DOS

IR

Vibrations