Geometry & MOs

Info

ID:	389038
PubChem CID:	134990964
Reduced:	N2O4C21H22 (1)
Stoich.:	A2B4C21D22 (1)
Weight, g/mol:	389.0449
ΔH_f, kcal/mol:	-102.58
Dipole, Da:	2.14
IP(EA), eV:	-8.88(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-bromo-2-(1-methylpiperidin-4-yl)-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,8,10,12-hexaen-2-ol

Drug info:

PubChemData

Smile

CC1(OCCO1)CCC2C(=O)N(N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations