Geometry & MOs

Info

ID:	75840
PubChem CID:	48424051
Reduced:	NO3C18H23 (1)
Stoich.:	AB3C18D23 (1)
Weight, g/mol:	412.222289
ΔH_f, kcal/mol:	-88.77
Dipole, Da:	1.82
IP(EA), eV:	-8.88(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-oxo-3-phenyl-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]propan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=C(OC2=CC=CC=C12)C(C)NC(=O)C(C)OCC3CC3

DOS

IR

Vibrations