Geometry & MOs

Info

ID:	241910
PubChem CID:	96024571
Reduced:	NOC19H23 (1)
Stoich.:	ABC19D23 (1)
Weight, g/mol:	241.157898
ΔH_f, kcal/mol:	-25.75
Dipole, Da:	3.29
IP(EA), eV:	-8.72(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(imidazol-1-ylmethyl)-7,8-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@H]([C@@H]2C3=C(CCN2)C=C(C(=C3)C)C)O

DOS

IR

Vibrations