Geometry & MOs

Info

ID:	241920
PubChem CID:	96024623
Reduced:	NC21H25 (1)
Stoich.:	AB21C25 (1)
Weight, g/mol:	291.1987
ΔH_f, kcal/mol:	14.99
Dipole, Da:	2.33
IP(EA), eV:	-8.75(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-6,7-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@@H]2C3=CC=CC4=C3CCCC4)C=C1)C

DOS

IR

Vibrations