Geometry & MOs

Info

ID:	241999
PubChem CID:	96025003
Reduced:	N3C18H19 (1)
Stoich.:	A3B18C19 (1)
Weight, g/mol:	217.18305
ΔH_f, kcal/mol:	52.18
Dipole, Da:	3.17
IP(EA), eV:	-8.81(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@H](NCC2)C3=CC4=C(C=C3)N=CN4

DOS

IR

Vibrations