Geometry & MOs

Info

ID:	73131
PubChem CID:	48417053
Reduced:	FOSN5H10C15 (1)
Stoich.:	ABCD5E10F15 (1)
Weight, g/mol:	392.0484
ΔH_f, kcal/mol:	36.53
Dipole, Da:	2.51
IP(EA), eV:	-9.06(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[2-(2-bromo-4,5-diethoxyphenyl)acetyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC=C(C=C2)F)C(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations