Geometry & MOs

Info

ID:	129687
PubChem CID:	51073559
Reduced:	O2F3N3C13H16 (1)
Stoich.:	A2B3C3D13E16 (1)
Weight, g/mol:	317.173942
ΔH_f, kcal/mol:	-249.07
Dipole, Da:	5.14
IP(EA), eV:	-8.91(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NCC(=O)NC(=O)NCC(F)(F)F)C

DOS

IR

Vibrations