Geometry & MOs

Info

ID:	180471
PubChem CID:	76638699
Reduced:	NO2C8H15 (1)
Stoich.:	AB2C8D15 (1)
Weight, g/mol:	567.269299
ΔH_f, kcal/mol:	-79.87
Dipole, Da:	2.35
IP(EA), eV:	-9.35(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-4-(7-methoxy-2-pyrazol-1-ylquinolin-4-yl)oxypyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC1CC1(C(=O)OC)NC

DOS

IR

Vibrations