Geometry & MOs

Info

ID:	358142
PubChem CID:	127295687
Reduced:	ClO2N3C21H30 (1)
Stoich.:	AB2C3D21E30 (1)
Weight, g/mol:	367.25834
ΔH_f, kcal/mol:	-103.14
Dipole, Da:	3.78
IP(EA), eV:	-9.4(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-(1-propan-2-ylpiperidin-4-yl)urea

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)N2CCCN(CC2)C(=O)NCCC3=CC(=CC=C3)Cl

DOS

IR

Vibrations