Geometry & MOs

Info

ID:	204764
PubChem CID:	80005349
Reduced:	N2O5C12H12 (1)
Stoich.:	A2B5C12D12 (1)
Weight, g/mol:	276.111007
ΔH_f, kcal/mol:	-127.03
Dipole, Da:	3.31
IP(EA), eV:	-10.3(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(1-propan-2-ylpyrrole-2-carbonyl)amino]methyl]furan-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C(=O)NCC2=CC=C(O2)C(=O)O

DOS

IR

Vibrations