Geometry & MOs

Info

ID:	241782
PubChem CID:	96024246
Reduced:	NOC15H23 (1)
Stoich.:	ABC15D23 (1)
Weight, g/mol:	232.157563
ΔH_f, kcal/mol:	-54.63
Dipole, Da:	1.73
IP(EA), eV:	-8.81(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(1S)-6,7-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@H]2C(C)(C)CO)C=C1)C

DOS

IR

Vibrations