Geometry & MOs

Info

ID:	241759
PubChem CID:	96024175
Reduced:	NOC9H10 (2)
Stoich.:	ABC9D10 (2)
Weight, g/mol:	295.157229
ΔH_f, kcal/mol:	13.37
Dipole, Da:	7.48
IP(EA), eV:	-8.86(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S)-7,8-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-2-(4-hydroxyphenyl)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)[N+](=O)[O-])[C@H]2C3=C(CCN2)C=C(C(=C3)C)C

DOS

IR

Vibrations