Geometry & MOs

Info

ID:	73193
PubChem CID:	48417175
Reduced:	FOSN6H11C17 (1)
Stoich.:	ABCD6E11F17 (1)
Weight, g/mol:	391.128054
ΔH_f, kcal/mol:	80.99
Dipole, Da:	4.48
IP(EA), eV:	-8.98(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(5-amino-4-cyanopyrazole-1-carbonyl)phenoxy]-N-(3-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C=C(S2)C(=O)N3C(=C(C=N3)C#N)N)C4=CC=C(C=C4)F

DOS

IR

Vibrations