Geometry & MOs

Info

ID:	188098
PubChem CID:	77668175
Reduced:	Cl2N3O5C19H19 (1)
Stoich.:	A2B3C5D19E19 (1)
Weight, g/mol:	486.086161
ΔH_f, kcal/mol:	-93.04
Dipole, Da:	11.1
IP(EA), eV:	-9.73(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[3-[amino-(2-methylphenyl)methyl]-4-hydroxyphenoxy]-3,5-dichlorophenyl]-1,2,4-triazinane-3,5-dione

Drug info:

PubChemData

Smile

CN(C1CN(CCO1)CC2=CC(=C(C=C2)Cl)Cl)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations