Geometry & MOs

Info

ID:	418202
PubChem CID:	135103861
Reduced:	ClN3O3C17H22 (1)
Stoich.:	AB3C3D17E22 (1)
Weight, g/mol:	372.241293
ΔH_f, kcal/mol:	-61.91
Dipole, Da:	5.56
IP(EA), eV:	-9.01(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4aR,8aR)-7-[(4-cyclopentyloxyphenyl)methyl]-4a-hydroxy-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridin-2-yl]ethanone

Drug info:

PubChemData

Smile

CC[C@H](C)NC(=O)C1=C(ON=C1NCCOC)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations