Geometry & MOs

Info

ID:	228436
PubChem CID:	87564469
Reduced:	NSO4H7C8 (1)
Stoich.:	ABC4D7E8 (1)
Weight, g/mol:	334.178024
ΔH_f, kcal/mol:	-40.2
Dipole, Da:	4.27
IP(EA), eV:	-9.67(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-propan-2-yl-2-[(E)-4-(4-propoxyphenyl)but-3-en-2-yl]propanedioic acid

Drug info:

PubChemData

Smile

CSOC1=C(C=CC(=C1)[N+](=O)[O-])C=O

DOS

IR

Vibrations