Geometry & MOs

Info

ID:	418904
PubChem CID:	135107098
Reduced:	NO5C18H21 (1)
Stoich.:	AB5C18D21 (1)
Weight, g/mol:	384.166077
ΔH_f, kcal/mol:	-183.95
Dipole, Da:	8.77
IP(EA), eV:	-9.63(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,8aS)-1-methyl-7-[2-[4-(trifluoromethyl)phenyl]acetyl]-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridine-4a-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)CC(=O)N2C[C@]3(C[C@]3(C2)C(=O)O)C(=O)O

DOS

IR

Vibrations