Geometry & MOs

Info

ID:	64938
PubChem CID:	29204226
Reduced:	ON4C19H20 (1)
Stoich.:	AB4C19D20 (1)
Weight, g/mol:	311.126991
ΔH_f, kcal/mol:	36.5
Dipole, Da:	3.74
IP(EA), eV:	-9.11(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)-N-(pyridin-3-ylmethyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)NCC3=CN=CC=C3

DOS

IR

Vibrations