Geometry & MOs

Info

ID:	144640
PubChem CID:	53391371
Reduced:	N5O5C31H37 (1)
Stoich.:	A5B5C31D37 (1)
Weight, g/mol:	245.095297
ΔH_f, kcal/mol:	-175.76
Dipole, Da:	12.46
IP(EA), eV:	-8.79(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(E)-2-pyridin-3-ylethenyl]-1H-indole-5-carbonitrile

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)[C@@H]2CCCN2C(=O)[C@H](CC3=CNC4=CC=CC=C43)N)C(=O)NC(CC5=CC=CC=C5)CC(=O)O

DOS

IR

Vibrations