Geometry & MOs

Info

ID:	414494
PubChem CID:	135087453
Reduced:	ClO3N4C15H21 (1)
Stoich.:	AB3C4D15E21 (1)
Weight, g/mol:	342.169191
ΔH_f, kcal/mol:	-102.37
Dipole, Da:	5.52
IP(EA), eV:	-9.03(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-2,6-dimethyl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=N1)N)N2CC[C@H]([C@@](C2)(CC3CC3)C(=O)O)O)Cl

DOS

IR

Vibrations