Geometry & MOs

Info

ID:	154693
PubChem CID:	56314186
Reduced:	FN2O3C22H25 (1)
Stoich.:	AB2C3D22E25 (1)
Weight, g/mol:	325.167794
ΔH_f, kcal/mol:	-137.9
Dipole, Da:	4.56
IP(EA), eV:	-8.28(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-phenylbutyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1CC(=O)N(C1)C2=CC=CC=C2OC)C3=CC=CC=C3F

DOS

IR

Vibrations