Geometry & MOs

Info

ID:	178478
PubChem CID:	76334917
Reduced:	N2O3C13H18 (1)
Stoich.:	A2B3C13D18 (1)
Weight, g/mol:	501.168001
ΔH_f, kcal/mol:	-21.16
Dipole, Da:	2.33
IP(EA), eV:	-8.6(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 6-(2-chloro-4-pyrazin-2-ylanilino)-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)/C(=N\OC)/C/C=N/OC

DOS

IR

Vibrations