Geometry & MOs

Info

ID:	329774
PubChem CID:	127246641
Reduced:	SN4C14H18 (1)
Stoich.:	AB4C14D18 (1)
Weight, g/mol:	277.142641
ΔH_f, kcal/mol:	53.4
Dipole, Da:	2.57
IP(EA), eV:	-8.95(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2CCN(C2)CC3=NC=CS3)C

DOS

IR

Vibrations