Geometry & MOs

Info

ID:	309344
PubChem CID:	126545545
Reduced:	IN5C9H19 (1)
Stoich.:	AB5C9D19 (1)
Weight, g/mol:	504.164535
ΔH_f, kcal/mol:	21.84
Dipole, Da:	7.02
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.879962
Charge, e:	0

Chem-info

IUPAC name:

2-[2-fluoro-4-[2-[(E)-[2-imino-1-(2-methylhydrazinyl)ethylidene]amino]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide

Drug info:

PubChemData

Smile

CN1CCN(C1=NC(=[N+](C)C)N(C)I)C

DOS

IR

Vibrations