Geometry & MOs

Info

ID:	434814
PubChem CID:	135175755
Reduced:	FO2N3C18H24 (1)
Stoich.:	AB2C3D18E24 (1)
Weight, g/mol:	305.153955
ΔH_f, kcal/mol:	-105.16
Dipole, Da:	5.57
IP(EA), eV:	-8.48(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-amino-2-[1-[(2S)-butan-2-yl]pyrazol-4-yl]-3-fluorobenzoate

Drug info:

PubChemData

Smile

CCCC(C)(C)N1C=C(C=N1)C2=C(C=C(C=C2F)N)C(=O)OCC

DOS

IR

Vibrations