Geometry & MOs

Info

ID:	189732
PubChem CID:	77897496
Reduced:	ON4C20H28 (1)
Stoich.:	AB4C20D28 (1)
Weight, g/mol:	383.105211
ΔH_f, kcal/mol:	-26.9
Dipole, Da:	1.78
IP(EA), eV:	-8.2(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(1H-pyrrole-2-carbonyl)piperazine-1-carbonyl]-2-thiophen-2-yl-5H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C2C(=C(NC2=C(C=C1)C)C(=O)NC3CC4CN(CCN4C3)C)C

DOS

IR

Vibrations