Geometry & MOs

Info

ID:	363368
PubChem CID:	127310905
Reduced:	O3N5C19H27 (1)
Stoich.:	A3B5C19D27 (1)
Weight, g/mol:	371.232125
ΔH_f, kcal/mol:	-67.02
Dipole, Da:	5.07
IP(EA), eV:	-9.16(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2-cyclopropylpyrimidine-4-carbonyl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone

Drug info:

PubChemData

Smile

CC(C(=O)N1CCOCC1)N2CCN(CC2)C(=O)C3=NC(=NC=C3)C4CC4

DOS

IR

Vibrations