Geometry & MOs

Info

ID:	362279
PubChem CID:	127307298
Reduced:	O2N5C16H31 (1)
Stoich.:	A2B5C16D31 (1)
Weight, g/mol:	360.26376
ΔH_f, kcal/mol:	-107.24
Dipole, Da:	5.16
IP(EA), eV:	-8.53(1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea

Drug info:

PubChemData

Smile

CN1CCN(C(C1)CNC(=O)NCCC(=O)N2CCCCC2)C

DOS

IR

Vibrations