Geometry & MOs

Info

ID:	414659
PubChem CID:	135087618
Reduced:	N3O3C12H19 (1)
Stoich.:	A3B3C12D19 (1)
Weight, g/mol:	355.189592
ΔH_f, kcal/mol:	-104.0
Dipole, Da:	5.49
IP(EA), eV:	-9.38(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4aS,8aS)-4a-(hydroxymethyl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridine-7-carbonyl]-1H-quinolin-2-one

Drug info:

PubChemData

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CC(C)N1C=C(C=N1)CN2C[C@@H](C[C@H]2C(=O)O)O

DOS

IR

Vibrations