Geometry & MOs

Info

ID:	353636
PubChem CID:	127285213
Reduced:	OSN4C19H26 (1)
Stoich.:	ABC4D19E26 (1)
Weight, g/mol:	372.198383
ΔH_f, kcal/mol:	0.04
Dipole, Da:	4.76
IP(EA), eV:	-8.46(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-methyl-N-[(4-pyrrolidin-1-yloxan-4-yl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine

Drug info:

PubChemData

Smile

C1CCN(C1)C2(CCOCC2)CNC3=C4C5=C(CCC5)SC4=NC=N3

DOS

IR

Vibrations