Geometry & MOs

Info

ID:	34318
PubChem CID:	7890744
Reduced:	N2O5H14C16 (1)
Stoich.:	A2B5C14D16 (1)
Weight, g/mol:	377.162708
ΔH_f, kcal/mol:	-162.87
Dipole, Da:	6.63
IP(EA), eV:	-9.13(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-hydroxybenzoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)N)NC(=O)COC(=O)C2=CC=CC=C2O

DOS

IR

Vibrations