Geometry & MOs

Info

ID:	37056
PubChem CID:	8016434
Reduced:	ON2C21H28 (1)
Stoich.:	AB2C21D28 (1)
Weight, g/mol:	352.067034
ΔH_f, kcal/mol:	-11.44
Dipole, Da:	3.11
IP(EA), eV:	-8.7(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-thiophen-2-yl-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaen-19-one

Drug info:

PubChemData

Smile

CC(C)C1=CC(=CC=C1)OCCN2CCCC[C@H]2C3=CN=CC=C3

DOS

IR

Vibrations