Geometry & MOs

Info

ID:	241646
PubChem CID:	96023918
Reduced:	ON2C18H28 (1)
Stoich.:	AB2C18D28 (1)
Weight, g/mol:	290.199428
ΔH_f, kcal/mol:	-72.84
Dipole, Da:	3.21
IP(EA), eV:	-8.8(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(1S)-7,8-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@H](NCC2)[C@H](CC(C)C)NC(=O)C

DOS

IR

Vibrations