Geometry & MOs

Info

ID:	25465
PubChem CID:	625394
Reduced:	O3C20H28 (1)
Stoich.:	A3B20C28 (1)
Weight, g/mol:	286.113984
ΔH_f, kcal/mol:	-146.38
Dipole, Da:	2.67
IP(EA), eV:	-8.67(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-ethylsulfanyl-4-methoxy-5-propan-2-ylcyclohepta-2,4,6-trien-1-ylidene)propanedinitrile

Drug info:

PubChemData

Smile

CC(C)C1=C(C(=C2C(=C1)C3CC4C2(CCCC4(C)C)CO3)O)O

DOS

IR

Vibrations