Geometry & MOs

Info

ID:	32403
PubChem CID:	7781202
Reduced:	ClN2O3H15C16 (1)
Stoich.:	AB2C3D15E16 (1)
Weight, g/mol:	363.04701
ΔH_f, kcal/mol:	-99.99
Dipole, Da:	7.47
IP(EA), eV:	-8.83(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 4-bromobenzoate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)NC(=O)COC(=O)C2=CC=C(C=C2)N

DOS

IR

Vibrations