Geometry & MOs

Info

ID:	363360
PubChem CID:	127310894
Reduced:	ON5C19H29 (1)
Stoich.:	AB5C19D29 (1)
Weight, g/mol:	345.18009
ΔH_f, kcal/mol:	9.62
Dipole, Da:	4.93
IP(EA), eV:	-8.71(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-2-cyclopropylpyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

CN1CCCCC1CN2CCN(CC2)C(=O)C3=NC(=NC=C3)C4CC4

DOS

IR

Vibrations