Geometry & MOs

Info

ID:	351715
PubChem CID:	127282115
Reduced:	O3N5C21H27 (1)
Stoich.:	A3B5C21D27 (1)
Weight, g/mol:	361.21139
ΔH_f, kcal/mol:	-92.47
Dipole, Da:	5.15
IP(EA), eV:	-8.86(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-2-[4-[2-(2-oxopyrimidin-1-yl)acetyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCC1)N2CCN(CC2)C(=O)C3=CN=C4C=CC=CN4C3=O

DOS

IR

Vibrations