Geometry & MOs

Info

ID:	241952
PubChem CID:	96024772
Reduced:	BrNC12H16 (1)
Stoich.:	ABC12D16 (1)
Weight, g/mol:	201.15175
ΔH_f, kcal/mol:	-7.88
Dipole, Da:	4.03
IP(EA), eV:	-8.5(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-cyclopropyl-7,8-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations