Geometry & MOs

Info

ID:	241915
PubChem CID:	96024610
Reduced:	ON2C16H18 (1)
Stoich.:	AB2C16D18 (1)
Weight, g/mol:	259.193614
ΔH_f, kcal/mol:	-16.61
Dipole, Da:	4.58
IP(EA), eV:	-8.96(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@H]2C3=CC(=O)NC=C3)C=C1)C

DOS

IR

Vibrations