Geometry & MOs

Info

ID:	423122
PubChem CID:	135118970
Reduced:	ON2C17H30 (1)
Stoich.:	AB2C17D30 (1)
Weight, g/mol:	380.184841
ΔH_f, kcal/mol:	-30.4
Dipole, Da:	2.17
IP(EA), eV:	-8.6(1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C=CCC1(CCCCN1CCN2CCOCC2)CC=C

DOS

IR

Vibrations