Geometry & MOs

Info

ID:	160286
PubChem CID:	57309633
Reduced:	ClOC18H19 (1)
Stoich.:	ABC18D19 (1)
Weight, g/mol:	412.19732
ΔH_f, kcal/mol:	-15.14
Dipole, Da:	2.74
IP(EA), eV:	-8.39(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[4-(3H-inden-1-yl)piperidin-1-yl]propyl]-2-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene

Drug info:

PubChemData

Smile

CC1(CC(=C)C2=C(O1)C=CC[C@@H]2C3=CC=C(C=C3)Cl)C

DOS

IR

Vibrations