Geometry & MOs

Info

ID:	241633
PubChem CID:	96023880
Reduced:	NC7H11 (2)
Stoich.:	AB7C11 (2)
Weight, g/mol:	271.132077
ΔH_f, kcal/mol:	0.59
Dipole, Da:	1.08
IP(EA), eV:	-8.56(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1R)-7,8-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-1H-imidazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@@H]2CN(C)C)C=C1)C

DOS

IR

Vibrations