Geometry & MOs

Info

ID:	354066
PubChem CID:	127285865
Reduced:	O3N6C19H26 (1)
Stoich.:	A3B6C19D26 (1)
Weight, g/mol:	333.205242
ΔH_f, kcal/mol:	-91.3
Dipole, Da:	4.75
IP(EA), eV:	-9.02(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,4-dioxan-2-ylmethyl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=C1C(=O)NN2C)C)CC(=O)N3CCC(CC3)N4CCNC4=O

DOS

IR

Vibrations