Geometry & MOs

Info

ID:	437185
PubChem CID:	135215611
Reduced:	IS4H7C15 (1)
Stoich.:	AB4C7D15 (1)
Weight, g/mol:	520.214715
ΔH_f, kcal/mol:	104.09
Dipole, Da:	2.39
IP(EA), eV:	-8.3(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-3-[4-[1-[5-(3-chloro-2-hydroxypropoxy)-4-methylcyclohepta-1,4,6-trien-1-yl]-1-phenylethyl]-3-methylcyclohexen-1-yl]oxypropan-2-ol

Drug info:

PubChemData

Smile

CC1=CC2=C(S1)C3=CC4=C(C=C3S2)C5=C(S4)C=C(S5)I

DOS

IR

Vibrations