Geometry & MOs

Info

ID:	418721
PubChem CID:	135106642
Reduced:	N4O4C21H24 (1)
Stoich.:	A4B4C21D24 (1)
Weight, g/mol:	385.200156
ΔH_f, kcal/mol:	-102.06
Dipole, Da:	6.71
IP(EA), eV:	-9.44(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COCCN1C(=O)C2=CC=C(C=C2)C(=O)N3C[C@H]([C@@H](C3)O)CC4=NC=CN=C4

DOS

IR

Vibrations