Geometry & MOs

Info

ID:	420458
PubChem CID:	135113223
Reduced:	NOC10H16 (2)
Stoich.:	ABC10D16 (2)
Weight, g/mol:	343.116821
ΔH_f, kcal/mol:	-78.93
Dipole, Da:	2.98
IP(EA), eV:	-8.58(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

CN(C)C1C[C@@H]2CC(C[C@@H]2C1)N(C)CC3=CC=C(C=C3)OCCO

DOS

IR

Vibrations