Geometry & MOs

Info

ID:	89436
PubChem CID:	49961689
Reduced:	NOH9C12 (2)
Stoich.:	ABC9D12 (2)
Weight, g/mol:	361.106256
ΔH_f, kcal/mol:	11.37
Dipole, Da:	4.4
IP(EA), eV:	-8.6(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-1-(2-nitrophenyl)-1H-benzo[f]chromene-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)C3C4=C(C=CC5=CC=CC=C54)OC(=C3C(=O)N)N

DOS

IR

Vibrations