Geometry & MOs

Info

ID:	422844
PubChem CID:	135118504
Reduced:	O3N6C22H30 (1)
Stoich.:	A3B6C22D30 (1)
Weight, g/mol:	367.200825
ΔH_f, kcal/mol:	-18.0
Dipole, Da:	10.67
IP(EA), eV:	-8.85(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-phenylmorpholin-4-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1=C(N=CN1)CN(CCN(C)C)C(=O)CCCC2=NC(=NO2)C3=CC=CC=C3OC

DOS

IR

Vibrations