Geometry & MOs

Info

ID:	132121
PubChem CID:	51310675
Reduced:	N3O4C21H21 (1)
Stoich.:	A3B4C21D21 (1)
Weight, g/mol:	378.169191
ΔH_f, kcal/mol:	-74.53
Dipole, Da:	3.93
IP(EA), eV:	-8.7(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-cyanopyridin-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CCNC(=O)C2=C(NN=C2)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations