Geometry & MOs

Info

ID:	345528
PubChem CID:	127269828
Reduced:	O3N5C16H23 (1)
Stoich.:	A3B5C16D23 (1)
Weight, g/mol:	346.211724
ΔH_f, kcal/mol:	-105.44
Dipole, Da:	2.98
IP(EA), eV:	-8.64(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(C(=O)NC1)NC(=O)NCC2=CC(=NC=C2)N3CCOCC3

DOS

IR

Vibrations