Geometry & MOs

Info

ID:	418161
PubChem CID:	135103733
Reduced:	N3O3C18H23 (1)
Stoich.:	A3B3C18D23 (1)
Weight, g/mol:	346.152872
ΔH_f, kcal/mol:	-80.73
Dipole, Da:	5.9
IP(EA), eV:	-9.41(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,8aS)-7-(1,3-benzodioxole-5-carbonyl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridine-4a-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)C(=O)COCC3=CC=CC=C3

DOS

IR

Vibrations