Geometry & MOs

Info

ID:	181966
PubChem CID:	76821408
Reduced:	ClN4O5C25H27 (1)
Stoich.:	AB4C5D25E27 (1)
Weight, g/mol:	270.100753
ΔH_f, kcal/mol:	-172.13
Dipole, Da:	3.52
IP(EA), eV:	-8.76(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(1-ethyl-5-methylidene-3-methylphosphanyl-2,6-dioxopyrimidin-3-ium-4-yl)propanamide

Drug info:

PubChemData

Smile

CCOC(=O)CCCN1C(=O)NC(N(C1=O)CC2=CC=C(C=C2)Cl)NC3=CC4=C(C=C3)OC(=C4)C

DOS

IR

Vibrations