Geometry & MOs

Info

ID:	382625
PubChem CID:	134973895
Reduced:	NSiO3C20H38 (1)
Stoich.:	ABC3D20E38 (1)
Weight, g/mol:	349.20732
ΔH_f, kcal/mol:	-163.91
Dipole, Da:	3.59
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756419
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(E)-but-1-enyl]-7-trimethylsilyloxy-11-oxa-3-azatetracyclo[5.3.1.02,6.03,9]undecan-8-yl]propanal

Drug info:

PubChemData

Smile

CC(C)[Si](C(C)C)(C(C)C)OCC12C(CC([N+]1=C)CC2(C=C)O)OC

DOS

IR

Vibrations