Geometry & MOs

Info

ID:	397429
PubChem CID:	135030206
Reduced:	SO3C7H8N8 (1)
Stoich.:	AB3C7D8E8 (1)
Weight, g/mol:	267.075625
ΔH_f, kcal/mol:	-2.44
Dipole, Da:	3.26
IP(EA), eV:	-9.21(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-2-amino-4-(3-amino-5-oxo-1H-pyrazol-4-ylidene)chromene-3-carbonitrile

Drug info:

PubChemData

Smile

C1=C2C(=O)NC(=O)NC2(NN1C3=NNC(=S)N3N)O

DOS

IR

Vibrations