Geometry & MOs

Info

ID:	353986
PubChem CID:	127285643
Reduced:	SO2N3C16H21 (1)
Stoich.:	AB2C3D16E21 (1)
Weight, g/mol:	373.247775
ΔH_f, kcal/mol:	-47.35
Dipole, Da:	3.56
IP(EA), eV:	-8.64(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-acetylpiperidin-4-yl)methyl]-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea

Drug info:

PubChemData

Smile

CN1CCOC(C1)CNC(=O)NCC2=CSC3=CC=CC=C32

DOS

IR

Vibrations