Geometry & MOs

Info

ID:	147511
PubChem CID:	53787167
Reduced:	NOC9H9 (3)
Stoich.:	ABC9D9 (3)
Weight, g/mol:	172.091956
ΔH_f, kcal/mol:	-43.98
Dipole, Da:	4.17
IP(EA), eV:	-8.38(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

trimethylsilyl 2-methylidenebutanoate

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1)C(=O)[C@H](CC2=CNC3=CC=CC=C32)OC(=O)NCC4=CC=CC=C4

DOS

IR

Vibrations