Geometry & MOs

Info

ID:	414951
PubChem CID:	135087931
Reduced:	ClO2N4C17H17 (1)
Stoich.:	AB2C4D17E17 (1)
Weight, g/mol:	373.18017
ΔH_f, kcal/mol:	-8.66
Dipole, Da:	8.44
IP(EA), eV:	-9.05(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=NC=C1CN(CCO)C(=O)C2=NC3=C(C=CC=C3Cl)C=C2

DOS

IR

Vibrations