Geometry & MOs

Info

ID:	362929
PubChem CID:	127309865
Reduced:	O2N5C18H27 (1)
Stoich.:	A2B5C18D27 (1)
Weight, g/mol:	373.21139
ΔH_f, kcal/mol:	-46.17
Dipole, Da:	6.96
IP(EA), eV:	-8.67(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]urea

Drug info:

PubChemData

Smile

CN1CCN(C(C1)CNC(=O)NC2=CC=C(C=C2)C(=O)NC3CC3)C

DOS

IR

Vibrations