Geometry & MOs

Info

ID:	230584
PubChem CID:	87571431
Reduced:	NSi2C19H32 (1)
Stoich.:	AB2C19D32 (1)
Weight, g/mol:	242.126657
ΔH_f, kcal/mol:	20.22
Dipole, Da:	5.65
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.809032
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethyl]pent-4-ynamide

Drug info:

PubChemData

Smile

CCC(/C(=C(/C)\[Si])/C)NC1=CC=CC=C1[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations