Geometry & MOs

Info

ID:	349198
PubChem CID:	127274924
Reduced:	ON2C10H11 (2)
Stoich.:	AB2C10D11 (2)
Weight, g/mol:	371.184506
ΔH_f, kcal/mol:	-3.54
Dipole, Da:	3.0
IP(EA), eV:	-9.33(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-N-[2-(2-methyl-1,4-oxazepan-4-yl)-2-oxoethyl]-3-oxo-1H-isoindole-1-carboxamide

Drug info:

PubChemData

Smile

CC1COC(CN1C(=O)C2=C(N3C(=CC(=N3)C)N=C2)C)C4=CC=CC=C4

DOS

IR

Vibrations