Geometry & MOs

Info

ID:	241634
PubChem CID:	96023883
Reduced:	O2N3C15H17 (1)
Stoich.:	A2B3C15D17 (1)
Weight, g/mol:	271.132077
ΔH_f, kcal/mol:	-49.71
Dipole, Da:	7.69
IP(EA), eV:	-9.24(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1S)-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]2C3=C(N=CN3)C(=O)O)C=C1)C

DOS

IR

Vibrations