Geometry & MOs

Info

ID:	241994
PubChem CID:	96024987
Reduced:	ON2C19H22 (1)
Stoich.:	AB2C19D22 (1)
Weight, g/mol:	294.173213
ΔH_f, kcal/mol:	-22.63
Dipole, Da:	5.27
IP(EA), eV:	-8.69(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations