Geometry & MOs

Info

ID:	242027
PubChem CID:	96025141
Reduced:	NC18H27 (1)
Stoich.:	AB18C27 (1)
Weight, g/mol:	223.112777
ΔH_f, kcal/mol:	-28.12
Dipole, Da:	1.97
IP(EA), eV:	-8.71(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@H](NCC2)CC3CCCCC3

DOS

IR

Vibrations