Geometry & MOs

Info

ID:	180865
PubChem CID:	76696888
Reduced:	N3O5C22H35 (1)
Stoich.:	A3B5C22D35 (1)
Weight, g/mol:	430.258006
ΔH_f, kcal/mol:	-207.35
Dipole, Da:	5.26
IP(EA), eV:	-8.21(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(3-cyanopropyl)-3-hydroxypiperidin-4-yl]methyl]-8-(propan-2-ylamino)-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide

Drug info:

PubChemData

Smile

CCNC1=CC(=C2C(=C1)OCCCO2)C(=O)NCC3CCN(CC3O)CCCOC

DOS

IR

Vibrations