Geometry & MOs

Info

ID:	358512
PubChem CID:	127296108
Reduced:	O2N4C23H34 (1)
Stoich.:	A2B4C23D34 (1)
Weight, g/mol:	381.27399
ΔH_f, kcal/mol:	-87.25
Dipole, Da:	5.66
IP(EA), eV:	-8.48(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)N2CCCC2=O)NC(=O)N3CCCCC(C3)N4CCCC4

DOS

IR

Vibrations