Geometry & MOs

Info

ID:	299405
PubChem CID:	117682827
Reduced:	ClN2O3H15C17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	261.115364
ΔH_f, kcal/mol:	-82.1
Dipole, Da:	3.95
IP(EA), eV:	-8.72(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,7-dimethyl-4-phenyl-4H-chromene-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)N(CC(=O)N2)C(=O)C3=C(C=CC(=C3)Cl)OC

DOS

IR

Vibrations