Geometry & MOs

Info

ID:	159256
PubChem CID:	57269341
Reduced:	NH7C8 (2)
Stoich.:	AB7C8 (2)
Weight, g/mol:	192.055146
ΔH_f, kcal/mol:	78.92
Dipole, Da:	3.52
IP(EA), eV:	-8.78(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-dimethoxyphosphorylpent-4-en-2-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1C#N)N)C=CC2=CC=CC=C2

DOS

IR

Vibrations