Geometry & MOs

Info

ID:	416175
PubChem CID:	135089184
Reduced:	O2N5C20H23 (1)
Stoich.:	A2B5C20D23 (1)
Weight, g/mol:	371.184506
ΔH_f, kcal/mol:	-12.52
Dipole, Da:	5.28
IP(EA), eV:	-8.7(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3-(cyclopropylmethyl)-4-hydroxy-1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCNC1=NC=C(C=N1)CN2CC3=C(C[C@H]2C(=O)O)C4=CC=CC=C4N3

DOS

IR

Vibrations