Geometry & MOs

Info

ID:	426214
PubChem CID:	135142689
Reduced:	ON7C26H29 (1)
Stoich.:	AB7C26D29 (1)
Weight, g/mol:	350.185509
ΔH_f, kcal/mol:	52.02
Dipole, Da:	5.99
IP(EA), eV:	-9.05(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-(4-cyano-1-bicyclo[2.2.1]heptanyl)-3-[(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)imino]propanamide

Drug info:

PubChemData

Smile

C1CC(CCC1CC#N)N2C(=NC3=CN=C4C(=C32)C=CN4)CC(=O)NC56CCC(C5)(CC6)C#N

DOS

IR

Vibrations