Geometry & MOs

Info

ID:	422626
PubChem CID:	135118159
Reduced:	NO4C20H31 (1)
Stoich.:	AB4C20D31 (1)
Weight, g/mol:	297.147727
ΔH_f, kcal/mol:	-181.92
Dipole, Da:	6.69
IP(EA), eV:	-8.64(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4,6-dimethylpyrimidin-2-yl)-3-phenylpyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)OCCN(CC)C(=O)[C@@H]2CC[C@@H]([C@@H](C2)OC)O

DOS

IR

Vibrations