Geometry & MOs

Info

ID:	241785
PubChem CID:	96024261
Reduced:	NOC15H19 (1)
Stoich.:	ABC15D19 (1)
Weight, g/mol:	227.142248
ΔH_f, kcal/mol:	-30.1
Dipole, Da:	4.78
IP(EA), eV:	-8.94(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(1H-imidazol-5-yl)-7,8-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@H](NCC2)C3CC(=O)C3

DOS

IR

Vibrations