Geometry & MOs

Info

ID:	242014
PubChem CID:	96025085
Reduced:	NOC19H23 (1)
Stoich.:	ABC19D23 (1)
Weight, g/mol:	295.23
ΔH_f, kcal/mol:	-12.92
Dipole, Da:	3.2
IP(EA), eV:	-8.57(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(1-adamantyl)-6,7-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@@H]2CCOC3=CC=CC=C3)C=C1)C

DOS

IR

Vibrations