Geometry & MOs

Info

ID:	48388
PubChem CID:	10543859
Reduced:	ON2C21H26 (1)
Stoich.:	AB2C21D26 (1)
Weight, g/mol:	322.160266
ΔH_f, kcal/mol:	-16.56
Dipole, Da:	3.8
IP(EA), eV:	-8.39(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5,5-dimethyl-4,6,7,8-tetrahydro-1H-naphthalen-2-yl)-(4-methyl-1,1-dioxo-2,3-dihydrothiophen-3-yl)methanol

Drug info:

PubChemData

Smile

CC1(C(CCN(C1=O)CCC2=CC=CC=C2)NC3=CC=CC=C3)C

DOS

IR

Vibrations