Geometry & MOs

Info

ID:	199964
PubChem CID:	79324694
Reduced:	N2O3C15H22 (1)
Stoich.:	A2B3C15D22 (1)
Weight, g/mol:	291.067762
ΔH_f, kcal/mol:	-126.26
Dipole, Da:	1.49
IP(EA), eV:	-9.51(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1CCCCC1N(C)C(=O)CN2C=CC=C2C(=O)O

DOS

IR

Vibrations