Geometry & MOs

Info

ID:	347426
PubChem CID:	127272275
Reduced:	SO2N3C18H21 (1)
Stoich.:	AB2C3D18E21 (1)
Weight, g/mol:	387.252192
ΔH_f, kcal/mol:	-37.96
Dipole, Da:	4.38
IP(EA), eV:	-8.77(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-chromen-3-yl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C2=NC=CS2)C(=O)NC3CC4=CC=CC=C4OC3

DOS

IR

Vibrations