Geometry & MOs

Info

ID:	358487
PubChem CID:	127296083
Reduced:	FN3O3C21H30 (1)
Stoich.:	AB3C3D21E30 (1)
Weight, g/mol:	295.225977
ΔH_f, kcal/mol:	-161.01
Dipole, Da:	6.83
IP(EA), eV:	-8.73(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(oxan-4-yl)-3-pyrrolidin-1-ylazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC(C1)N2CCCC2)C(=O)NCCC3=CC(=CC4=C3OCOC4)F

DOS

IR

Vibrations