Geometry & MOs

Info

ID:	241917
PubChem CID:	96024615
Reduced:	NOC17H25 (1)
Stoich.:	ABC17D25 (1)
Weight, g/mol:	259.193614
ΔH_f, kcal/mol:	-43.24
Dipole, Da:	4.22
IP(EA), eV:	-8.81(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@@H]2CC3CCOCC3)C=C1)C

DOS

IR

Vibrations