Geometry & MOs

Info

ID:	347008
PubChem CID:	127271512
Reduced:	N3O4C17H23 (1)
Stoich.:	A3B4C17D23 (1)
Weight, g/mol:	279.158292
ΔH_f, kcal/mol:	-150.96
Dipole, Da:	2.71
IP(EA), eV:	-9.42(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,4-dioxan-2-ylmethyl)-1-methyl-1-(2-pyridin-4-ylethyl)urea

Drug info:

PubChemData

Smile

C1CN(CC2=CC=CC=C21)C(=O)CNC(=O)NCC3COCCO3

DOS

IR

Vibrations