Geometry & MOs

Info

ID:	159353
PubChem CID:	57269662
Reduced:	FO3N5C11H14 (1)
Stoich.:	AB3C5D11E14 (1)
Weight, g/mol:	380.148455
ΔH_f, kcal/mol:	-116.45
Dipole, Da:	1.95
IP(EA), eV:	-9.02(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]butanoylamino] formate

Drug info:

PubChemData

Smile

CO[C@]1(C(C[C@@H](O1)N2C=NC3=C(N=CN=C32)N)F)CO

DOS

IR

Vibrations