Geometry & MOs

Info

ID:	423225
PubChem CID:	135119139
Reduced:	OSN5C14H21 (1)
Stoich.:	ABC5D14E21 (1)
Weight, g/mol:	251.126991
ΔH_f, kcal/mol:	11.38
Dipole, Da:	7.67
IP(EA), eV:	-8.84(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-(5-ethylpyrimidin-2-yl)-4-hydroxypiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CSC(=N1)NC(=O)C(C)N(C)CCN2C=CN=C2C

DOS

IR

Vibrations