Geometry & MOs

Info

ID:	241122
PubChem CID:	96021335
Reduced:	NC18H27 (1)
Stoich.:	AB18C27 (1)
Weight, g/mol:	187.1361
ΔH_f, kcal/mol:	-24.18
Dipole, Da:	1.93
IP(EA), eV:	-8.91(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-8-methyl-1-prop-1-en-2-yl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)[C@@H](NCC2)CCC3CCCCC3

DOS

IR

Vibrations