Geometry & MOs

Info

ID:	228501
PubChem CID:	87564998
Reduced:	FO2N4C25H33 (1)
Stoich.:	AB2C4D25E33 (1)
Weight, g/mol:	272.116092
ΔH_f, kcal/mol:	-47.74
Dipole, Da:	5.03
IP(EA), eV:	-7.8(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-amino-4-methyl-3-(pyrrolidine-2-carbonyl)chromen-2-one

Drug info:

PubChemData

Smile

CCCC(C[C@H]1CCC2=C1[C@H](C3=CNN(C3=C2)C4=CC=C(C=C4)F)C)NC(=O)N(C)OC

DOS

IR

Vibrations