Geometry & MOs

Info

ID:	351945
PubChem CID:	127282863
Reduced:	O3N5C20H31 (1)
Stoich.:	A3B5C20D31 (1)
Weight, g/mol:	360.219512
ΔH_f, kcal/mol:	-115.59
Dipole, Da:	5.99
IP(EA), eV:	-9.19(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-ethylsulfonylpiperidin-4-yl)-1-methyl-1-[(1-methylpiperidin-4-yl)methyl]urea

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCC1)N2CCN(CC2)C(=O)NCC3=CC(=NC=C3)OC

DOS

IR

Vibrations