Geometry & MOs

Info

ID:	287600
PubChem CID:	104248290
Reduced:	N2O5C12H14 (1)
Stoich.:	A2B5C12D14 (1)
Weight, g/mol:	282.121572
ΔH_f, kcal/mol:	-111.27
Dipole, Da:	4.97
IP(EA), eV:	-9.03(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(1-methoxybutan-2-ylamino)-4-nitrobenzoate

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])N2CCC(C2)O

DOS

IR

Vibrations