Geometry & MOs

Info

ID:	345378
PubChem CID:	127269678
Reduced:	SO2N3C19H23 (1)
Stoich.:	AB2C3D19E23 (1)
Weight, g/mol:	398.13972
ΔH_f, kcal/mol:	-39.71
Dipole, Da:	5.07
IP(EA), eV:	-8.24(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2=C(C=CC(=C2)NC(=O)NCCN3CCC4=C(C3)C=CS4)OC1

DOS

IR

Vibrations