Geometry & MOs

Info

ID:	241743
PubChem CID:	96024151
Reduced:	BrNC15H22 (1)
Stoich.:	ABC15D22 (1)
Weight, g/mol:	294.173213
ΔH_f, kcal/mol:	-20.93
Dipole, Da:	2.75
IP(EA), eV:	-8.81(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(1R)-7,8-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]benzamide

Drug info:

PubChemData

Smile

CCC[C@H]([C@H]1C2=C(CCN1)C=C(C(=C2)C)C)Br

DOS

IR

Vibrations