Geometry & MOs

Info

ID:	358460
PubChem CID:	127296056
Reduced:	ON5C22H35 (1)
Stoich.:	AB5C22D35 (1)
Weight, g/mol:	386.268176
ΔH_f, kcal/mol:	-35.78
Dipole, Da:	6.38
IP(EA), eV:	-8.3(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-cyclopentyloxypyridin-4-yl)methyl]-3-pyrrolidin-1-ylazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=NC=C(C=C2)CNC(=O)N3CCCCC(C3)N4CCCC4

DOS

IR

Vibrations