Geometry & MOs

Info

ID:	305908
PubChem CID:	124974049
Reduced:	OSN7C17H17 (1)
Stoich.:	ABC7D17E17 (1)
Weight, g/mol:	469.140449
ΔH_f, kcal/mol:	94.77
Dipole, Da:	2.98
IP(EA), eV:	-8.87(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-chlorophenoxy)methyl]-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]pyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

C1CCN([C@H](C1)C2=CSC(=N2)NC3=NC=CN=C3)C(=O)C4=NN=CC=C4

DOS

IR

Vibrations