Geometry & MOs

Info

ID:	4394
PubChem CID:	11344
Reduced:	N4O9C17H18 (1)
Stoich.:	A4B9C17D18 (1)
Weight, g/mol:	422.107378
ΔH_f, kcal/mol:	-112.37
Dipole, Da:	3.8
IP(EA), eV:	-8.87(-2.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 4-aminobenzoate;2,4,6-trinitrophenol

Drug info:

PubChemData

Smile

CCCCOC(=O)C1=CC=C(C=C1)N.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations