Geometry & MOs

Info

ID:	373187
PubChem CID:	131311262
Reduced:	BrClNF2O2H7C9 (1)
Stoich.:	ABCD2E2F7G9 (1)
Weight, g/mol:	188.094963
ΔH_f, kcal/mol:	-158.0
Dipole, Da:	2.59
IP(EA), eV:	-9.91(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-hydroxy-2,3-dihydro-1H-indol-3-yl)propanenitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)Br)[C@H](C(C(=O)O)(F)F)N

DOS

IR

Vibrations