Geometry & MOs

Info

ID:	374404
PubChem CID:	131328531
Reduced:	BrOF2C9H9 (1)
Stoich.:	ABC2D9E9 (1)
Weight, g/mol:	215.105862
ΔH_f, kcal/mol:	-134.95
Dipole, Da:	1.37
IP(EA), eV:	-9.95(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-1-amino-3-hydroxypropyl]-1H-indole-7-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1CO)Br)C(F)F

DOS

IR

Vibrations