Geometry & MOs

Info

ID:	312375
PubChem CID:	126604491
Reduced:	ClNOC12H12 (1)
Stoich.:	ABCD12E12 (1)
Weight, g/mol:	210.104465
ΔH_f, kcal/mol:	-15.59
Dipole, Da:	5.89
IP(EA), eV:	-8.73(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methylidene-3,4-dihydro-2H-benzo[g][1]benzoxepine

Drug info:

PubChemData

Smile

C=CC(=O)N1CCCC2=C1C=CC(=C2)Cl

DOS

IR

Vibrations