Geometry & MOs

Info

ID:	307514
PubChem CID:	125307284
Reduced:	BrF2N2H3C7 (1)
Stoich.:	AB2C2D3E7 (1)
Weight, g/mol:	479.19574
ΔH_f, kcal/mol:	-26.25
Dipole, Da:	2.68
IP(EA), eV:	-10.42(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-methoxy-4-phenylmethoxyphenyl)-N-[(Z)-[(2S)-2-methyl-2H-indol-3-yl]methylideneamino]-4H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1=C(C=C(C2=C1N=N[C@H]2Br)F)F

DOS

IR

Vibrations