Geometry & MOs

Info

ID:	258381
PubChem CID:	103153359
Reduced:	N3O4C10H15 (1)
Stoich.:	A3B4C10D15 (1)
Weight, g/mol:	346.05282
ΔH_f, kcal/mol:	-139.87
Dipole, Da:	1.2
IP(EA), eV:	-9.92(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C(=O)NCC(CC(=O)O)OC

DOS

IR

Vibrations