Geometry & MOs

Info

ID:	298834
PubChem CID:	117660231
Reduced:	SBr2O2C9H10 (1)
Stoich.:	AB2C2D9E10 (1)
Weight, g/mol:	344.163711
ΔH_f, kcal/mol:	-56.86
Dipole, Da:	5.21
IP(EA), eV:	-10.24(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-ethenyl-4-(morpholin-4-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC(C)S(=O)(=O)C1=C(C=C(C=C1)Br)Br

DOS

IR

Vibrations