Geometry & MOs

Info

ID:	45593
PubChem CID:	10515314
Reduced:	NC18H27 (1)
Stoich.:	AB18C27 (1)
Weight, g/mol:	258.102096
ΔH_f, kcal/mol:	-7.91
Dipole, Da:	1.64
IP(EA), eV:	-8.43(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(E)-3-diethoxyphosphorylprop-2-enyl]cyclopent-2-en-1-one

Drug info:

PubChemData

Smile

CCC[C@@H]1[C@H]2CC[C@H](N2C)C[C@H]1C3=CC=C(C=C3)C

DOS

IR

Vibrations