Geometry & MOs

Info

ID:	27226
PubChem CID:	819777
Reduced:	NO2C17H19 (1)
Stoich.:	AB2C17D19 (1)
Weight, g/mol:	233.116427
ΔH_f, kcal/mol:	-56.01
Dipole, Da:	4.13
IP(EA), eV:	-8.72(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(2,5-dimethylpyrrol-1-yl)-3-(1H-imidazol-5-yl)propanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)COC2=CC=CC=C2C)C

DOS

IR

Vibrations