Geometry & MOs

Info

ID:	356828
PubChem CID:	127292368
Reduced:	ON5C20H35 (1)
Stoich.:	AB5C20D35 (1)
Weight, g/mol:	358.180504
ΔH_f, kcal/mol:	-57.08
Dipole, Da:	4.64
IP(EA), eV:	-8.62(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CC(CN(C1)C(C)(C)CNC(=O)N2CCCCC2C3=NC=CN3)C

DOS

IR

Vibrations