Geometry & MOs

Info

ID:	408026
PubChem CID:	135080781
Reduced:	NC12H15 (1)
Stoich.:	AB12C15 (1)
Weight, g/mol:	189.100108
ΔH_f, kcal/mol:	19.35
Dipole, Da:	2.14
IP(EA), eV:	-9.06(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(nitromethyl)pentanoate

Drug info:

PubChemData

Smile

C[C@H]1CCC(=N1)C2=CC=C(C=C2)C

DOS

IR

Vibrations