Geometry & MOs

Info

ID:	37747
PubChem CID:	8024050
Reduced:	N3O4C21H21 (1)
Stoich.:	A3B4C21D21 (1)
Weight, g/mol:	401.059036
ΔH_f, kcal/mol:	-101.39
Dipole, Da:	3.63
IP(EA), eV:	-8.78(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(4-ethoxyphenyl)methyl-methyl-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]azanium

Drug info:

PubChemData

Smile

CC[C@@H](C)C1=CC=CC=C1NC(=O)COC(=O)C2=NNC(=O)C3=CC=CC=C32

DOS

IR

Vibrations