Geometry & MOs

Info

ID:	73336
PubChem CID:	48417457
Reduced:	O3N4C14H14 (1)
Stoich.:	A3B4C14D14 (1)
Weight, g/mol:	286.081438
ΔH_f, kcal/mol:	-19.07
Dipole, Da:	7.61
IP(EA), eV:	-8.93(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C(=O)N2C(=C(C=N2)C#N)N)OC

DOS

IR

Vibrations