Geometry & MOs

Info

ID:	352160
PubChem CID:	127283228
Reduced:	ON4C19H22 (1)
Stoich.:	AB4C19D22 (1)
Weight, g/mol:	322.179361
ΔH_f, kcal/mol:	28.61
Dipole, Da:	2.15
IP(EA), eV:	-9.2(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-phenylpyrimidin-4-yl)piperidin-4-yl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

C1CC1C(=O)N2CCC(CC2)NC3=NC(=NC=C3)C4=CC=CC=C4

DOS

IR

Vibrations