Geometry & MOs

Info

ID:	12306
PubChem CID:	134454
Reduced:	N3O4H15C18 (1)
Stoich.:	A3B4C15D18 (1)
Weight, g/mol:	337.106256
ΔH_f, kcal/mol:	-88.55
Dipole, Da:	9.06
IP(EA), eV:	-9.23(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methyl-2-oxochromen-7-yl) 4-(diaminomethylideneamino)benzoate

Drug info:

PubChemData

Smile

CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3=CC=C(C=C3)N=C(N)N

DOS

IR

Vibrations