Geometry & MOs

Info

ID:	423954
PubChem CID:	135120847
Reduced:	O2N3C18H21 (1)
Stoich.:	A2B3C18D21 (1)
Weight, g/mol:	311.103669
ΔH_f, kcal/mol:	-44.87
Dipole, Da:	3.13
IP(EA), eV:	-9.74(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1C)C(=O)N2C[C@H]([C@H](C2)O)CC3=CC=NC=C3

DOS

IR

Vibrations