Geometry & MOs

Info

ID:	358499
PubChem CID:	127296095
Reduced:	O3N5C17H31 (1)
Stoich.:	A3B5C17D31 (1)
Weight, g/mol:	381.27399
ΔH_f, kcal/mol:	-159.79
Dipole, Da:	2.91
IP(EA), eV:	-8.47(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1CCCC(C1)NC(=O)NCCC(=O)N2CCN(CC2)C(=O)C

DOS

IR

Vibrations