Geometry & MOs

Info

ID:	354205
PubChem CID:	127286169
Reduced:	ON5C20H27 (1)
Stoich.:	AB5C20D27 (1)
Weight, g/mol:	394.177168
ΔH_f, kcal/mol:	6.03
Dipole, Da:	3.52
IP(EA), eV:	-8.64(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-3-(3-morpholin-4-ylbutan-2-yl)urea

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=CC=CC=C2NC(=O)N3CCN4CCCCC4C3)C

DOS

IR

Vibrations