Geometry & MOs

Info

ID:	242058
PubChem CID:	96025270
Reduced:	N2O3C17H18 (1)
Stoich.:	A2B3C17D18 (1)
Weight, g/mol:	293.21435
ΔH_f, kcal/mol:	-23.77
Dipole, Da:	4.2
IP(EA), eV:	-9.07(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-6,7-dimethyl-1-[(4-propylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@@H](NCC2)C3=CC(=CC(=C3)O)[N+](=O)[O-]

DOS

IR

Vibrations