Geometry & MOs

Info

ID:	45950
PubChem CID:	10519551
Reduced:	NO3C19H27 (1)
Stoich.:	AB3C19D27 (1)
Weight, g/mol:	318.064057
ΔH_f, kcal/mol:	-97.49
Dipole, Da:	2.67
IP(EA), eV:	-9.13(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-2-(2-nitrophenyl)ethenyl]-2-oxochromene-3-carbonitrile

Drug info:

PubChemData

Smile

CCC(CC)([C@]1([C@H](O1)C2=CC=C(C=C2)C)C3=NC(CO3)(C)C)O

DOS

IR

Vibrations