Geometry & MOs

Info

ID:	363824
PubChem CID:	127313481
Reduced:	O2N5C20H27 (1)
Stoich.:	A2B5C20D27 (1)
Weight, g/mol:	363.190654
ΔH_f, kcal/mol:	-35.93
Dipole, Da:	8.14
IP(EA), eV:	-8.55(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC2=NC(=CN2C=C1)C(=O)NCCN3CCN(CC3)C(=O)C4CCC4

DOS

IR

Vibrations