Geometry & MOs

Info

ID:	360001
PubChem CID:	127300145
Reduced:	FO2N4C22H27 (1)
Stoich.:	AB2C4D22E27 (1)
Weight, g/mol:	264.127406
ΔH_f, kcal/mol:	-90.35
Dipole, Da:	5.34
IP(EA), eV:	-8.57(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=CC=CC=C2NC(=O)NC3CCOC4=C3C=C(C=C4)F

DOS

IR

Vibrations