Geometry & MOs

Info

ID:	349651
PubChem CID:	127275803
Reduced:	N3O3C21H31 (1)
Stoich.:	A3B3C21D31 (1)
Weight, g/mol:	359.220892
ΔH_f, kcal/mol:	-116.2
Dipole, Da:	3.5
IP(EA), eV:	-8.63(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclopentyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2CCN(CC2)C(=O)NCC3=CC4=C(C=C3)OCCCO4

DOS

IR

Vibrations