Geometry & MOs

Info

ID:	359240
PubChem CID:	127297757
Reduced:	ClO2N4C20H23 (1)
Stoich.:	AB2C4D20E23 (1)
Weight, g/mol:	331.189592
ΔH_f, kcal/mol:	-41.86
Dipole, Da:	1.22
IP(EA), eV:	-8.71(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetamido-N-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1COC2=CC=CC=C2C1CNC(=O)N3CCN(CC3)C4=NC=C(C=C4)Cl

DOS

IR

Vibrations