Geometry & MOs

Info

ID:	241761
PubChem CID:	96024178
Reduced:	NO2C19H21 (1)
Stoich.:	AB2C19D21 (1)
Weight, g/mol:	293.21435
ΔH_f, kcal/mol:	-57.72
Dipole, Da:	3.72
IP(EA), eV:	-8.75(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(4-butylphenyl)-7,8-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@@H](NCC2)C(=O)CC3=CC=C(C=C3)O

DOS

IR

Vibrations