Geometry & MOs

Info

ID:	73334
PubChem CID:	48417451
Reduced:	ON3C6H6 (2)
Stoich.:	AB3C6D6 (2)
Weight, g/mol:	312.097088
ΔH_f, kcal/mol:	33.99
Dipole, Da:	3.8
IP(EA), eV:	-9.52(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[4-(cyclopropylamino)-3-nitrobenzoyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CCCN1C(=O)C=CC(=N1)C(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations