Geometry & MOs

Info

ID:	331914
PubChem CID:	127250200
Reduced:	O4N5C24H27 (1)
Stoich.:	A4B5C24D27 (1)
Weight, g/mol:	413.150619
ΔH_f, kcal/mol:	-76.63
Dipole, Da:	3.56
IP(EA), eV:	-8.28(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-[5-[(3-chlorophenyl)methyl]pyridin-2-yl]morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1C(=O)N2CCOC(C2)C3=NC=C(C=C3)CC4=C(C=CC(=C4)OC)OC)N

DOS

IR

Vibrations