Geometry & MOs

Info

ID:	189364
PubChem CID:	77844820
Reduced:	ON7C25H31 (1)
Stoich.:	AB7C25D31 (1)
Weight, g/mol:	533.14289
ΔH_f, kcal/mol:	29.19
Dipole, Da:	5.31
IP(EA), eV:	-8.44(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[3-[[4-[2-(5,6-dimethoxy-3-oxo-1,2-benzoselenazol-2-yl)ethyl]piperidin-1-yl]methyl]phenyl]carbamate

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=C(C=NC=C2)NC(=O)C3=C(C=C4C=CC(=CC4=N3)C5CCNCC5)N)N

DOS

IR

Vibrations