Geometry & MOs

Info

ID:	441873
PubChem CID:	135246297
Reduced:	F2O2N5C19H19 (1)
Stoich.:	A2B2C5D19E19 (1)
Weight, g/mol:	452.20845
ΔH_f, kcal/mol:	-20.53
Dipole, Da:	2.21
IP(EA), eV:	-8.73(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-(N-amino-2-fluoroanilino)-3-methoxy-1-[3-[4-[(4-methyl-3H-1,2,4-triazol-2-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]prop-1-en-1-amine

Drug info:

PubChemData

Smile

COCC/C(=C(\C1=NC(=NO1)C2=CC=CC=C2F)/N)/N(C3=CC=CC=C3F)N

DOS

IR

Vibrations