Geometry & MOs

Info

ID:	397430
PubChem CID:	135030208
Reduced:	O2N5H9C13 (1)
Stoich.:	A2B5C9D13 (1)
Weight, g/mol:	300.097088
ΔH_f, kcal/mol:	51.89
Dipole, Da:	9.17
IP(EA), eV:	-8.65(-1.38)
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-carbohydrazide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)/C(=C/3\C(=NNC3=O)N)/C(=C(O2)N)C#N

DOS

IR

Vibrations