Geometry & MOs

Info

ID:	358461
PubChem CID:	127296057
Reduced:	ON2C11H17 (2)
Stoich.:	AB2C11D17 (2)
Weight, g/mol:	386.268176
ΔH_f, kcal/mol:	-80.98
Dipole, Da:	3.84
IP(EA), eV:	-8.67(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-cyclopentyloxypyridin-3-yl)methyl]-3-pyrrolidin-1-ylazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)OC2=NC=CC(=C2)CNC(=O)N3CCCCC(C3)N4CCCC4

DOS

IR

Vibrations