Geometry & MOs

Info

ID:	241978
PubChem CID:	96024881
Reduced:	NSC17H19 (1)
Stoich.:	ABC17D19 (1)
Weight, g/mol:	255.1987
ΔH_f, kcal/mol:	25.19
Dipole, Da:	3.49
IP(EA), eV:	-8.59(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(cyclohexen-1-ylmethyl)-7,8-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@H](NCC2)C3=CC=C(C=C3)S

DOS

IR

Vibrations