Geometry & MOs

Info

ID:	241786
PubChem CID:	96024263
Reduced:	N3C14H17 (1)
Stoich.:	A3B14C17 (1)
Weight, g/mol:	227.142248
ΔH_f, kcal/mol:	40.34
Dipole, Da:	4.25
IP(EA), eV:	-9.01(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(1H-imidazol-5-yl)-6,7-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@@H]2C3=CN=CN3)C=C1)C

DOS

IR

Vibrations