Geometry & MOs

Info

ID:	354280
PubChem CID:	127286244
Reduced:	O3N5C19H23 (1)
Stoich.:	A3B5C19D23 (1)
Weight, g/mol:	285.147727
ΔH_f, kcal/mol:	-66.66
Dipole, Da:	0.68
IP(EA), eV:	-8.24(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyano-N-(3,4-dihydro-2H-chromen-6-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

COC1=NC(=NC=C1)N2CCN(CC2)C(=O)NC3=CC4=C(C=C3)OCCC4

DOS

IR

Vibrations