Geometry & MOs

Info

ID:	261799
PubChem CID:	103251751
Reduced:	N4O4C13H14 (1)
Stoich.:	A4B4C13D14 (1)
Weight, g/mol:	292.142307
ΔH_f, kcal/mol:	-29.85
Dipole, Da:	9.8
IP(EA), eV:	-9.64(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1-cyclopropylbutan-2-ylamino)methyl]-6-nitrobenzoic acid

Drug info:

PubChemData

Smile

CN1C=CN=C1CNCC2=C(C(=CC=C2)[N+](=O)[O-])C(=O)O

DOS

IR

Vibrations