Geometry & MOs

Info

ID:	174055
PubChem CID:	75716058
Reduced:	N3O5C19H25 (1)
Stoich.:	A3B5C19D25 (1)
Weight, g/mol:	470.229111
ΔH_f, kcal/mol:	-130.96
Dipole, Da:	4.36
IP(EA), eV:	-9.89(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[[1-(4-methoxyphenyl)-2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]-methylcarbamoyl]-4-nitrophenolate

Drug info:

PubChemData

Smile

CC=CC(C(=O)NC1CCCCC1)N(C)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])O

DOS

IR

Vibrations