Geometry & MOs

Info

ID:	241916
PubChem CID:	96024614
Reduced:	NOC17H25 (1)
Stoich.:	ABC17D25 (1)
Weight, g/mol:	259.193614
ΔH_f, kcal/mol:	-52.97
Dipole, Da:	0.67
IP(EA), eV:	-8.83(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-7,8-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