Geometry & MOs

Info

ID:	345616
PubChem CID:	127269916
Reduced:	O3N4C18H26 (1)
Stoich.:	A3B4C18D26 (1)
Weight, g/mol:	331.200825
ΔH_f, kcal/mol:	-112.62
Dipole, Da:	1.67
IP(EA), eV:	-8.87(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-oxopiperidin-3-yl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea

Drug info:

PubChemData

Smile

C1CC(C(=O)NC1)NC(=O)NCC2=CC(=CC=C2)CN3CCOCC3

DOS

IR

Vibrations