Geometry & MOs

Info

ID:	419070
PubChem CID:	135107432
Reduced:	N3O3C19H21 (1)
Stoich.:	A3B3C19D21 (1)
Weight, g/mol:	307.153206
ΔH_f, kcal/mol:	-88.01
Dipole, Da:	6.76
IP(EA), eV:	-8.78(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(N=C1C)N2CCC(C2)(C3=CC=CC=C3)C(=O)O)C(=O)N

DOS

IR

Vibrations