Geometry & MOs

Info

ID:	421497
PubChem CID:	135116121
Reduced:	N3O3C21H25 (1)
Stoich.:	A3B3C21D25 (1)
Weight, g/mol:	356.184841
ΔH_f, kcal/mol:	-101.32
Dipole, Da:	5.25
IP(EA), eV:	-8.34(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide

Drug info:

PubChemData

Smile

CN1CC(CC1=O)C(=O)N2CCC3(CC2)C4=C(CCO3)C5=CC=CC=C5N4

DOS

IR

Vibrations