Geometry & MOs

Info

ID:	241898
PubChem CID:	96024527
Reduced:	N2C15H18 (1)
Stoich.:	A2B15C18 (1)
Weight, g/mol:	241.157898
ΔH_f, kcal/mol:	30.74
Dipole, Da:	3.78
IP(EA), eV:	-8.62(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-7,8-dimethyl-1-(3-methylimidazol-4-yl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations