Geometry & MOs

Info

ID:	415607
PubChem CID:	135088606
Reduced:	O3N5C20H25 (1)
Stoich.:	A3B5C20D25 (1)
Weight, g/mol:	378.194343
ΔH_f, kcal/mol:	-10.49
Dipole, Da:	3.5
IP(EA), eV:	-8.4(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)C)C(=O)NC[C@@H]2[C@H]3CC[C@@]4([C@@H]2CN(C4)C5=NC=CC(=N5)N)O3

DOS

IR

Vibrations