Geometry & MOs

Info

ID:	213724
PubChem CID:	81064787
Reduced:	NO3C16H29 (1)
Stoich.:	AB3C16D29 (1)
Weight, g/mol:	288.01095
ΔH_f, kcal/mol:	-189.71
Dipole, Da:	2.94
IP(EA), eV:	-9.75(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCCCC1CCC(CC1)C(=O)NCC(C)CC(=O)O

DOS

IR

Vibrations