Geometry & MOs

Info

ID:	366838
PubChem CID:	127320426
Reduced:	O3N4C14H18 (1)
Stoich.:	A3B4C14D18 (1)
Weight, g/mol:	303.158292
ΔH_f, kcal/mol:	-36.15
Dipole, Da:	4.1
IP(EA), eV:	-9.03(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-(1,4-oxazepane-4-carbonyl)-5-pyridin-3-ylpyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CC(=O)NC2=CC=NN2CC3CCOC3

DOS

IR

Vibrations