Geometry & MOs

Info

ID:	241778
PubChem CID:	96024238
Reduced:	NC15H21 (1)
Stoich.:	AB15C21 (1)
Weight, g/mol:	251.144077
ΔH_f, kcal/mol:	8.38
Dipole, Da:	2.22
IP(EA), eV:	-8.74(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@@H](NCC2)CC3CC3

DOS

IR

Vibrations