Geometry & MOs

Info

ID:	347858
PubChem CID:	127272920
Reduced:	ClN2O3C17H23 (1)
Stoich.:	AB2C3D17E23 (1)
Weight, g/mol:	383.161184
ΔH_f, kcal/mol:	-118.67
Dipole, Da:	1.41
IP(EA), eV:	-9.45(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-(1,4-dioxan-2-ylmethyl)urea

Drug info:

PubChemData

Smile

C1CC(C1)(CNC(=O)NCC2COCCO2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations