Geometry & MOs

Info

ID:	287601
PubChem CID:	104248314
Reduced:	N2O5C13H18 (1)
Stoich.:	A2B5C13D18 (1)
Weight, g/mol:	294.157957
ΔH_f, kcal/mol:	-123.77
Dipole, Da:	5.59
IP(EA), eV:	-9.06(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(5-methylhexylamino)-4-nitrobenzoate

Drug info:

PubChemData

Smile

CCC(COC)NC1=C(C=CC(=C1)C(=O)OC)[N+](=O)[O-]

DOS

IR

Vibrations