Geometry & MOs

Info

ID:	242015
PubChem CID:	96025089
Reduced:	NC21H29 (1)
Stoich.:	AB21C29 (1)
Weight, g/mol:	281.07791
ΔH_f, kcal/mol:	-26.73
Dipole, Da:	1.93
IP(EA), eV:	-8.67(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(2-bromopropan-2-yl)-7,8-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@H](NCC2)C34CC5CC(C3)CC(C5)C4

DOS

IR

Vibrations