Geometry & MOs

Info

ID:	170200
PubChem CID:	75206134
Reduced:	FNO4C20H22 (1)
Stoich.:	ABC4D20E22 (1)
Weight, g/mol:	375.158292
ΔH_f, kcal/mol:	-137.21
Dipole, Da:	2.04
IP(EA), eV:	-8.88(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-phenyl-3-[3-(1-phenylpyrazol-4-yl)prop-2-enoylamino]propanoate

Drug info:

PubChemData

Smile

CN(CCOC1=CC=CC=C1F)C(=O)C=CC2=C(C(=CC=C2)OC)OC

DOS

IR

Vibrations