Geometry & MOs

Info

ID:	351144
PubChem CID:	127279702
Reduced:	ClNO2C15H18 (1)
Stoich.:	ABC2D15E18 (1)
Weight, g/mol:	398.121275
ΔH_f, kcal/mol:	-78.93
Dipole, Da:	4.03
IP(EA), eV:	-9.29(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOC3C2CCC3)Cl

DOS

IR

Vibrations