Geometry & MOs

Info

ID:	241779
PubChem CID:	96024241
Reduced:	ClNC15H22 (1)
Stoich.:	ABC15D22 (1)
Weight, g/mol:	251.144077
ΔH_f, kcal/mol:	-28.02
Dipole, Da:	3.4
IP(EA), eV:	-8.94(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(4-chlorobutyl)-6,7-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@@H]2CCCCCl)C=C1)C

DOS

IR

Vibrations