Geometry & MOs

Info

ID:	241641
PubChem CID:	96023902
Reduced:	NO3C16H17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	285.128427
ΔH_f, kcal/mol:	-85.87
Dipole, Da:	6.67
IP(EA), eV:	-9.19(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[4-(chloromethyl)phenyl]-7,8-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@H](NCC2)C3=CC=C(O3)C(=O)O

DOS

IR

Vibrations