Geometry & MOs

Info

ID:	299944
PubChem CID:	118043176
Reduced:	O4N5H21C24 (1)
Stoich.:	A4B5C21D24 (1)
Weight, g/mol:	507.190654
ΔH_f, kcal/mol:	75.95
Dipole, Da:	5.7
IP(EA), eV:	-9.12(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(4R)-5-[(E)-2-cyano-3-cyclopropylprop-2-enoyl]-2,5-diazabicyclo[2.2.0]hexan-2-yl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C=CC(=O)N1C[C@@H]2C1CN2C3=CN=C(C(=N3)OC4=CC=C(C=C4)OC5=CC=CC=C5)C(=O)N

DOS

IR

Vibrations