Geometry & MOs

Info

ID:	351489
PubChem CID:	127280377
Reduced:	O3N4C20H34 (1)
Stoich.:	A3B4C20D34 (1)
Weight, g/mol:	379.177503
ΔH_f, kcal/mol:	-161.98
Dipole, Da:	6.73
IP(EA), eV:	-9.12(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)NCCC(=O)N2CCN(CC2)C(=O)CN3CCCC3

DOS

IR

Vibrations