Geometry & MOs

Info

ID:	423297
PubChem CID:	135119247
Reduced:	O2N5C20H21 (1)
Stoich.:	A2B5C20D21 (1)
Weight, g/mol:	276.158626
ΔH_f, kcal/mol:	60.76
Dipole, Da:	3.69
IP(EA), eV:	-8.58(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CCC1=NC2=C(N1)C=C(C=C2)OC)CC3=CC(=NO3)C4=CN=CC=C4

DOS

IR

Vibrations