Geometry & MOs

Info

ID:	421537
PubChem CID:	135116179
Reduced:	N3O4C20H25 (1)
Stoich.:	A3B4C20D25 (1)
Weight, g/mol:	333.216475
ΔH_f, kcal/mol:	-103.26
Dipole, Da:	4.18
IP(EA), eV:	-8.51(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,8aS)-7-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridine-4a-carboxylic acid

Drug info:

PubChemData

Smile

CN1C(=CC=N1)C(=O)N2CCC3(CC2)C4=CC(=C(C=C4CCO3)OC)OC

DOS

IR

Vibrations