Geometry & MOs

Info

ID:	370126
PubChem CID:	127337497
Reduced:	FN2O2C17H21 (1)
Stoich.:	AB2C2D17E21 (1)
Weight, g/mol:	386.211804
ΔH_f, kcal/mol:	-114.8
Dipole, Da:	3.16
IP(EA), eV:	-9.43(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-ethylimidazol-1-yl)-N-(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(C2=C(C=CC(=C2)F)OC1)NC(=O)NC3CCC=CC3

DOS

IR

Vibrations