Geometry & MOs

Info

ID:	405929
PubChem CID:	135076027
Reduced:	ClN2O3C16H25 (1)
Stoich.:	AB2C3D16E25 (1)
Weight, g/mol:	242.13068
ΔH_f, kcal/mol:	-66.54
Dipole, Da:	8.28
IP(EA), eV:	-8.91(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-(cyclohexylmethylidene)chromen-4-one

Drug info:

PubChemData

Smile

CCCN(CCC)CC(C)(C)OC1=C(C=C(C=C1)[N+](=O)[O-])Cl

DOS

IR

Vibrations