Geometry & MOs

Info

ID:	414493
PubChem CID:	135087452
Reduced:	O3N4C19H24 (1)
Stoich.:	A3B4C19D24 (1)
Weight, g/mol:	340.130218
ΔH_f, kcal/mol:	-87.6
Dipole, Da:	4.83
IP(EA), eV:	-9.38(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-(2-amino-5-chloro-6-methylpyrimidin-4-yl)-3-(cyclopropylmethyl)-4-hydroxypiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CN(C)C(=O)NCC(=O)N1C[C@H]([C@@H](C1)O)CC2=CC=NC3=CC=CC=C23

DOS

IR

Vibrations