Geometry & MOs

Info

ID:	34243
PubChem CID:	7890440
Reduced:	ClO3H19C23 (1)
Stoich.:	AB3C19D23 (1)
Weight, g/mol:	395.128821
ΔH_f, kcal/mol:	-65.27
Dipole, Da:	3.83
IP(EA), eV:	-9.37(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 4-chlorobenzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@H](C(=O)C2=CC=C(C=C2)C)OC(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations