Geometry & MOs

Info

ID:	362307
PubChem CID:	127307329
Reduced:	ON6C15H28 (1)
Stoich.:	AB6C15D28 (1)
Weight, g/mol:	353.114234
ΔH_f, kcal/mol:	-12.07
Dipole, Da:	3.86
IP(EA), eV:	-8.74(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-(1,4-dioxan-2-ylmethyl)urea

Drug info:

PubChemData

Smile

CC(CNC(=O)NCC1CN(CCN1C)C)CN2C=CC=N2

DOS

IR

Vibrations