Geometry & MOs

Info

ID:	417767
PubChem CID:	135102674
Reduced:	NOC9H13 (2)
Stoich.:	ABC9D13 (2)
Weight, g/mol:	328.130218
ΔH_f, kcal/mol:	-82.57
Dipole, Da:	2.93
IP(EA), eV:	-8.62(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-1-(2-amino-5-chloro-6-methylpyrimidin-4-yl)-4-hydroxy-3-propylpiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)C(=O)N2C[C@H]3CN([C@@H](C2)COC3)C)C

DOS

IR

Vibrations