Geometry & MOs

Info

ID:	241921
PubChem CID:	96024625
Reduced:	NC21H25 (1)
Stoich.:	AB21C25 (1)
Weight, g/mol:	241.157898
ΔH_f, kcal/mol:	6.64
Dipole, Da:	1.57
IP(EA), eV:	-8.71(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@H](NCC2)C3=CC=CC4=C3CCCC4

DOS

IR

Vibrations