Geometry & MOs

Info

ID:	417586
PubChem CID:	135102151
Reduced:	N4O4C19H30 (1)
Stoich.:	A4B4C19D30 (1)
Weight, g/mol:	371.184506
ΔH_f, kcal/mol:	-165.86
Dipole, Da:	3.5
IP(EA), eV:	-9.28(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-3-(cyclopropylmethyl)-4-hydroxy-1-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCOCC(=O)N1CCC(CC1)C(=O)N2C[C@H]([C@H](C2)O)CC3=NNC(=C3)C

DOS

IR

Vibrations