Geometry & MOs

Info

ID:	203506
PubChem CID:	79839490
Reduced:	FN3H14C15 (1)
Stoich.:	AB3C14D15 (1)
Weight, g/mol:	251.105862
ΔH_f, kcal/mol:	29.99
Dipole, Da:	7.27
IP(EA), eV:	-9.02(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pyridine-2-carbonitrile

Drug info:

PubChemData

Smile

CC(CC1=CC=C(C=C1)F)NC2=CN=C(C=C2)C#N

DOS

IR

Vibrations