Geometry & MOs

Info

ID:	363380
PubChem CID:	127310917
Reduced:	SO2N5C18H25 (1)
Stoich.:	AB2C5D18E25 (1)
Weight, g/mol:	288.195011
ΔH_f, kcal/mol:	-16.78
Dipole, Da:	3.57
IP(EA), eV:	-8.88(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-N-[(1-ethylpiperidin-2-yl)methyl]pyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=NC=C(S2)C(=O)N3CCCCC3CN4CCOCC4

DOS

IR

Vibrations