Geometry & MOs

Info

ID:	363782
PubChem CID:	127313422
Reduced:	SO2N4C16H24 (1)
Stoich.:	AB2C4D16E24 (1)
Weight, g/mol:	393.193153
ΔH_f, kcal/mol:	-56.39
Dipole, Da:	8.17
IP(EA), eV:	-8.8(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-2-propan-2-ylpyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=C(S1)C(=O)NCCN2CCN(CC2)C(=O)C3CCC3

DOS

IR

Vibrations