Geometry & MOs

Info

ID:	79932
PubChem CID:	49831470
Reduced:	BrNSO2C15H18 (1)
Stoich.:	ABCD2E15F18 (1)
Weight, g/mol:	277.044046
ΔH_f, kcal/mol:	-3.35
Dipole, Da:	5.73
IP(EA), eV:	-9.64(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-(2-thiophen-2-ylethyl)-1H-pyrrolo[2,3-b]pyridin-5-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CCC#C)C/C=C/CBr

DOS

IR

Vibrations