Geometry & MOs

Info

ID:	257369
PubChem CID:	103145577
Reduced:	N3O5C13H17 (1)
Stoich.:	A3B5C13D17 (1)
Weight, g/mol:	274.131742
ΔH_f, kcal/mol:	-145.55
Dipole, Da:	7.84
IP(EA), eV:	-9.66(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(2,5-dimethyl-4-nitrophenyl)furan-2-yl]propan-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1[N+](=O)[O-])C)NC(=O)NC(C)CC(=O)O

DOS

IR

Vibrations