Geometry & MOs

Info

ID:	418687
PubChem CID:	135106562
Reduced:	ClN2O3C17H25 (1)
Stoich.:	AB2C3D17E25 (1)
Weight, g/mol:	386.13972
ΔH_f, kcal/mol:	-133.59
Dipole, Da:	6.02
IP(EA), eV:	-8.65(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)OCCOC)Cl

DOS

IR

Vibrations