Geometry & MOs

Info

ID:	332155
PubChem CID:	127250441
Reduced:	N3O3C27H29 (1)
Stoich.:	A3B3C27D29 (1)
Weight, g/mol:	442.140783
ΔH_f, kcal/mol:	-65.83
Dipole, Da:	3.28
IP(EA), eV:	-9.15(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[2-[5-(3-chlorophenyl)pyridin-2-yl]morpholin-4-yl]-3-oxopropyl]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C)(C)C(=O)N2CCOC(C2)C3=NC=C(C=C3)C4=CC(=CC=C4)C(=O)N

DOS

IR

Vibrations