Geometry & MOs

Info

ID:	363316
PubChem CID:	127310828
Reduced:	OSN5C17H23 (1)
Stoich.:	ABC5D17E23 (1)
Weight, g/mol:	343.237211
ΔH_f, kcal/mol:	24.56
Dipole, Da:	5.86
IP(EA), eV:	-8.77(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=NC=C(S2)C(=O)N3CCCC3CN4CCCC4

DOS

IR

Vibrations