Geometry & MOs

Info

ID:	241891
PubChem CID:	96024512
Reduced:	NOC19H23 (1)
Stoich.:	ABC19D23 (1)
Weight, g/mol:	281.177964
ΔH_f, kcal/mol:	-15.8
Dipole, Da:	1.14
IP(EA), eV:	-8.82(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-6,7-dimethyl-1-(phenylmethoxymethyl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@@H]2COCC3=CC=CC=C3)C=C1)C

DOS

IR

Vibrations