Geometry & MOs

Info

ID:	73397
PubChem CID:	48417611
Reduced:	O3N6H18C19 (1)
Stoich.:	A3B6C18D19 (1)
Weight, g/mol:	283.002765
ΔH_f, kcal/mol:	-34.99
Dipole, Da:	0.93
IP(EA), eV:	-9.28(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(4,5-dichloro-1-methylpyrrole-2-carbonyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC12CCC(=O)N1C3=CC=CC=C3C(=O)N2CCC(=O)N4C(=C(C=N4)C#N)N

DOS

IR

Vibrations