Geometry & MOs

Info

ID:	82708
PubChem CID:	49856374
Reduced:	BrN2O7C23H25 (1)
Stoich.:	AB2C7D23E25 (1)
Weight, g/mol:	220.101191
ΔH_f, kcal/mol:	-243.4
Dipole, Da:	2.31
IP(EA), eV:	-8.79(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-fluoro-1H-indol-3-yl)butanamide

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)[C@H]([C@H](N(C2=O)CCCBr)C3=CC=CC=C3NC(=O)OC)C(=O)O)OC

DOS

IR

Vibrations