Geometry & MOs

Info

ID:	367892
PubChem CID:	127326045
Reduced:	O2N4C23H28 (1)
Stoich.:	A2B4C23D28 (1)
Weight, g/mol:	367.200825
ΔH_f, kcal/mol:	-37.68
Dipole, Da:	2.07
IP(EA), eV:	-8.79(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-phenylpiperidin-2-one

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)NC(=O)C2CCN(CC2)C3CCCN(C3=O)C4=CC=CC=C4

DOS

IR

Vibrations