Geometry & MOs

Info

ID:	174136
PubChem CID:	75728943
Reduced:	N2O3C29H48 (1)
Stoich.:	A2B3C29D48 (1)
Weight, g/mol:	488.190714
ΔH_f, kcal/mol:	-184.79
Dipole, Da:	1.68
IP(EA), eV:	-8.82(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(butylamino)-1-(4-hydroxy-3-methoxyphenyl)-2-oxoethyl]-3,5-dinitro-N-propylbenzamide

Drug info:

PubChemData

Smile

CCCN(C(C1=CC=C(C=C1)OC)C(=O)NC(C)(C)CC(C)(C)C)C(=O)CCC2CCCCC2

DOS

IR

Vibrations