Geometry & MOs

Info

ID:	320915
PubChem CID:	126664238
Reduced:	ClO3N4C23H27 (1)
Stoich.:	AB3C4D23E27 (1)
Weight, g/mol:	442.177168
ΔH_f, kcal/mol:	-69.45
Dipole, Da:	4.72
IP(EA), eV:	-8.72(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1R)-1-(6-chloro-2,3-dimethylpyrazolo[4,3-c]pyridin-4-yl)oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=C2C(=NN1C)C=C(N=C2O[C@H](C)[C@@H]3CC(=O)N(C3)[C@@H](C)C4=CC=C(C=C4)OC)Cl

DOS

IR

Vibrations