Geometry & MOs

Info

ID:	241128
PubChem CID:	96021404
Reduced:	NC20H27 (1)
Stoich.:	AB20C27 (1)
Weight, g/mol:	281.21435
ΔH_f, kcal/mol:	-15.58
Dipole, Da:	1.34
IP(EA), eV:	-8.66(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(1-adamantyl)-6-methyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=C2[C@H](NCCC2=CC=C1)C34CC5CC(C3)CC(C5)C4

DOS

IR

Vibrations