Geometry & MOs

Info

ID:	358503
PubChem CID:	127296099
Reduced:	ON5C21H29 (1)
Stoich.:	AB5C21D29 (1)
Weight, g/mol:	395.28964
ΔH_f, kcal/mol:	6.56
Dipole, Da:	6.95
IP(EA), eV:	-9.05(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]urea

Drug info:

PubChemData

Smile

C1CCN(CC(C1)N2CCCC2)C(=O)NCC3=CC=CC=C3N4C=CN=C4

DOS

IR

Vibrations