Geometry & MOs

Info

ID:	371108
PubChem CID:	127342510
Reduced:	N3O3C13H23 (1)
Stoich.:	A3B3C13D23 (1)
Weight, g/mol:	311.232125
ΔH_f, kcal/mol:	-151.01
Dipole, Da:	1.31
IP(EA), eV:	-9.43(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methyl-6-oxopiperidin-3-yl)-3-[1-(4-methylpiperazin-1-yl)propan-2-yl]urea

Drug info:

PubChemData

Smile

CCC1CN(CCO1)C(=O)NC2CCC(=O)N(C2)C

DOS

IR

Vibrations