Geometry & MOs

Info

ID:	241127
PubChem CID:	96021394
Reduced:	NOC14H19 (1)
Stoich.:	ABC14D19 (1)
Weight, g/mol:	281.21435
ΔH_f, kcal/mol:	-46.02
Dipole, Da:	2.87
IP(EA), eV:	-8.94(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(1-adamantyl)-8-methyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)[C@H](NCC2)CCC(=O)C

DOS

IR

Vibrations