Geometry & MOs

Info

ID:	379982
PubChem CID:	134964425
Reduced:	SiO2C13H19 (1)
Stoich.:	AB2C13D19 (1)
Weight, g/mol:	233.105193
ΔH_f, kcal/mol:	-68.63
Dipole, Da:	2.77
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.775320
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(nitromethyl)-6-phenylhex-5-en-2-one

Drug info:

PubChemData

Smile

C[C@H](C(=O)OC(C)(C)C)[SiH]C1=CC=CC=C1

DOS

IR

Vibrations