Geometry & MOs

Info

ID:	231574
PubChem CID:	87574167
Reduced:	N3O4C20H29 (1)
Stoich.:	A3B4C20D29 (1)
Weight, g/mol:	387.105978
ΔH_f, kcal/mol:	-140.99
Dipole, Da:	1.67
IP(EA), eV:	-8.76(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[8-(1-methylpiperidin-4-ylidene)-4-thiatricyclo[8.4.0.03,7]tetradeca-1,3(7),5,9,11,13-hexaen-5-yl]acetic acid;hydrochloride

Drug info:

PubChemData

Smile

CC(C)[C@H](CC1=CC2=C(C=C1)C=NN2CCCOC)C[C@@H](C=O)NC(=O)O

DOS

IR

Vibrations