Geometry & MOs

Info

ID:	415458
PubChem CID:	135088453
Reduced:	O3N4C18H20 (1)
Stoich.:	A3B4C18D20 (1)
Weight, g/mol:	370.200491
ΔH_f, kcal/mol:	-61.65
Dipole, Da:	7.92
IP(EA), eV:	-9.57(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1C2=NC=C(C(=O)N2)C(=O)N3C[C@H]([C@H](C3)O)CC4=CC=NC=C4

DOS

IR

Vibrations