Geometry & MOs

Info

ID:	73255
PubChem CID:	48417286
Reduced:	OS2N5H13C16 (1)
Stoich.:	AB2C5D13E16 (1)
Weight, g/mol:	306.051968
ΔH_f, kcal/mol:	95.0
Dipole, Da:	6.26
IP(EA), eV:	-8.89(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(3-chloro-4,5-dimethoxybenzoyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=CSC(=N1)SCC2=CC=C(C=C2)C(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations