Geometry & MOs

Info

ID:	398640
PubChem CID:	135034499
Reduced:	FNOH16C23 (1)
Stoich.:	ABCD16E23 (1)
Weight, g/mol:	315.183444
ΔH_f, kcal/mol:	13.31
Dipole, Da:	2.1
IP(EA), eV:	-9.2(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 5-oxo-6-pentyl-3,4-dihydro-2H-azepine-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)CC(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations