Geometry & MOs

Info

ID:	241647
PubChem CID:	96023924
Reduced:	N2O2C17H26 (1)
Stoich.:	A2B2C17D26 (1)
Weight, g/mol:	290.199428
ΔH_f, kcal/mol:	-117.66
Dipole, Da:	1.31
IP(EA), eV:	-8.9(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(1R)-6,7-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@@H]2CNC(=O)OC(C)(C)C)C=C1)C

DOS

IR

Vibrations