Geometry & MOs

Info

ID:	405623
PubChem CID:	135074725
Reduced:	OC16H18 (1)
Stoich.:	AB16C18 (1)
Weight, g/mol:	369.100108
ΔH_f, kcal/mol:	-0.22
Dipole, Da:	2.56
IP(EA), eV:	-9.43(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-nitrophenyl)-3-[(E)-2-phenylethenyl]chromen-4-one

Drug info:

PubChemData

Smile

C=CCC1(CC2=CC=CC=C2CC1=O)CC=C

DOS

IR

Vibrations