Geometry & MOs

Info

ID:	363776
PubChem CID:	127313416
Reduced:	O3N5C21H27 (1)
Stoich.:	A3B5C21D27 (1)
Weight, g/mol:	377.206304
ΔH_f, kcal/mol:	-84.54
Dipole, Da:	10.62
IP(EA), eV:	-8.57(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CN2C(=NC=C(C2=O)C(=O)NCCN3CCN(CC3)C(=O)C4CCC4)C=C1

DOS

IR

Vibrations