Geometry & MOs

Info

ID:	417870
PubChem CID:	135102941
Reduced:	O3N6C19H28 (1)
Stoich.:	A3B6C19D28 (1)
Weight, g/mol:	293.148789
ΔH_f, kcal/mol:	-96.26
Dipole, Da:	1.53
IP(EA), eV:	-8.72(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC(=NC(=N1)N2CCOCC2)N3CCC4(CC3)C(=O)N(C(=O)N4C)C

DOS

IR

Vibrations