Geometry & MOs

Info

ID:	385997
PubChem CID:	134980492
Reduced:	C5H6 (4)
Stoich.:	A5B6 (4)
Weight, g/mol:	357.17625
ΔH_f, kcal/mol:	53.12
Dipole, Da:	0.91
IP(EA), eV:	-9.08(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclohexylidene-7-methyl-5-methylidene-1-(4-methylphenyl)sulfonyl-2,3-dihydroazepine

Drug info:

PubChemData

Smile

CC1(C2CCC1(C(=C2)/C=C\C=C\C3=CC=CC=C3)C)C

DOS

IR

Vibrations