Geometry & MOs

Info

ID:	257308
PubChem CID:	103145097
Reduced:	BrO2N3C14H14 (1)
Stoich.:	AB2C3D14E14 (1)
Weight, g/mol:	290.090272
ΔH_f, kcal/mol:	36.69
Dipole, Da:	5.64
IP(EA), eV:	-9.34(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2,5-dimethyl-4-nitroanilino)methyl]furan-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1[N+](=O)[O-])C)NCC2=CC(=CN=C2)Br

DOS

IR

Vibrations