Geometry & MOs

Info

ID:	196838
PubChem CID:	78884692
Reduced:	O5C20H24 (1)
Stoich.:	A5B20C24 (1)
Weight, g/mol:	364.04226
ΔH_f, kcal/mol:	-161.57
Dipole, Da:	2.76
IP(EA), eV:	-8.36(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)amino]benzoate

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)COC(=O)C(C2=CC=CC=C2)OC)OC

DOS

IR

Vibrations