Geometry & MOs

Info

ID:	147594
PubChem CID:	53787250
Reduced:	ClOH11C12 (1)
Stoich.:	ABC11D12 (1)
Weight, g/mol:	323.059217
ΔH_f, kcal/mol:	25.91
Dipole, Da:	4.0
IP(EA), eV:	-9.63(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-[3-(2,5-dichlorophenyl)but-2-enyl]-6-methyl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(=C(CO)C#C)C1=CC=CC=C1Cl

DOS

IR

Vibrations