Geometry & MOs

Info

ID:	363369
PubChem CID:	127310906
Reduced:	O2N5C20H29 (1)
Stoich.:	A2B5C20D29 (1)
Weight, g/mol:	343.237211
ΔH_f, kcal/mol:	-38.07
Dipole, Da:	3.82
IP(EA), eV:	-8.84(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-cyclopropylpyrimidin-4-yl)-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)CC2CCN(CC2)C(=O)C3=NC(=NC=C3)C4CC4

DOS

IR

Vibrations