Geometry & MOs

Info

ID:	241966
PubChem CID:	96024838
Reduced:	N3C15H17 (1)
Stoich.:	A3B15C17 (1)
Weight, g/mol:	298.131742
ΔH_f, kcal/mol:	60.58
Dipole, Da:	3.21
IP(EA), eV:	-9.04(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations