Geometry & MOs

Info

ID:	277380
PubChem CID:	103828153
Reduced:	ClN3O4C11H12 (1)
Stoich.:	AB3C4D11E12 (1)
Weight, g/mol:	223.120843
ΔH_f, kcal/mol:	-36.99
Dipole, Da:	3.86
IP(EA), eV:	-10.14(-2.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxy-2-methylphenyl)-2-methoxy-2-methylpropanamide

Drug info:

PubChemData

Smile

C1CC1N(CCO)C(=O)C2=CC(=NC=C2[N+](=O)[O-])Cl

DOS

IR

Vibrations