Geometry & MOs

Info

ID:	335725
PubChem CID:	127254587
Reduced:	ON7C21H23 (1)
Stoich.:	AB7C21D23 (1)
Weight, g/mol:	434.184172
ΔH_f, kcal/mol:	94.86
Dipole, Da:	7.0
IP(EA), eV:	-9.39(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-5-phenylmethoxy-1H-pyridin-4-one

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)N[C@@H](C1=CC=CC=C1)C2=NC3=CC=CC=C3N2)N4C=NN=N4

DOS

IR

Vibrations