Geometry & MOs

Info

ID:	196839
PubChem CID:	78885074
Reduced:	BrN2O3C16H17 (1)
Stoich.:	AB2C3D16E17 (1)
Weight, g/mol:	364.04226
ΔH_f, kcal/mol:	-90.34
Dipole, Da:	4.05
IP(EA), eV:	-9.28(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)amino]benzoate

Drug info:

PubChemData

Smile

CC(C)N1C=C(C=C1C(=O)NC2=CC=C(C=C2)C(=O)OC)Br

DOS

IR

Vibrations