Geometry & MOs

Info

ID:	370110
PubChem CID:	127337476
Reduced:	N3O3C20H31 (1)
Stoich.:	A3B3C20D31 (1)
Weight, g/mol:	398.231791
ΔH_f, kcal/mol:	-118.9
Dipole, Da:	2.44
IP(EA), eV:	-8.77(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-3-(2-ethylimidazol-1-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OCCNC(=O)N2CCN(CC2)CC3CCOCC3

DOS

IR

Vibrations