Geometry & MOs

Info

ID:	414404
PubChem CID:	135087362
Reduced:	ClO2N5C14H18 (1)
Stoich.:	AB2C5D14E18 (1)
Weight, g/mol:	296.148455
ΔH_f, kcal/mol:	-31.63
Dipole, Da:	2.76
IP(EA), eV:	-9.04(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-1-(2-amino-4-oxo-1H-pyrimidin-6-yl)-3-hydroxy-4-propylpiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)C(=O)NCCC2=NC(=NN2)N)Cl

DOS

IR

Vibrations