Geometry & MOs

Info

ID:	213333
PubChem CID:	81063479
Reduced:	O3N4C10H16 (1)
Stoich.:	A3B4C10D16 (1)
Weight, g/mol:	302.0266
ΔH_f, kcal/mol:	-90.86
Dipole, Da:	4.21
IP(EA), eV:	-10.41(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)CCN1C=CN=N1

DOS

IR

Vibrations