Geometry & MOs

Info

ID:	374577
PubChem CID:	131331688
Reduced:	BrFN2C10H14 (1)
Stoich.:	ABC2D10E14 (1)
Weight, g/mol:	171.079647
ΔH_f, kcal/mol:	-34.17
Dipole, Da:	2.0
IP(EA), eV:	-9.48(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminomethyl)-1H-indole-2-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1F)C(CCN)N)Br

DOS

IR

Vibrations