Geometry & MOs

Info

ID:	387054
PubChem CID:	134983797
Reduced:	NSiO7C20H33 (1)
Stoich.:	ABC7D20E33 (1)
Weight, g/mol:	251.115758
ΔH_f, kcal/mol:	-251.48
Dipole, Da:	6.37
IP(EA), eV:	-9.12(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 4-methyl-2-nitropentanoate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC1(CC1(C/C=C/CC(C(=O)OC)[N+](=O)[O-])C(=O)OC)C=C

DOS

IR

Vibrations