Geometry & MOs

Info

ID:	358531
PubChem CID:	127296127
Reduced:	O2N4C21H38 (1)
Stoich.:	A2B4C21D38 (1)
Weight, g/mol:	383.253255
ΔH_f, kcal/mol:	-131.5
Dipole, Da:	3.22
IP(EA), eV:	-8.85(1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-[2-(2,2-dimethylmorpholin-4-yl)ethyl]urea

Drug info:

PubChemData

Smile

C1CCC(CC1)CC(=O)NCCNC(=O)N2CCCCC(C2)N3CCCC3

DOS

IR

Vibrations