Geometry & MOs

Info

ID:	387266
PubChem CID:	134984658
Reduced:	N4O8C13H24 (1)
Stoich.:	A4B8C13D24 (1)
Weight, g/mol:	223.084458
ΔH_f, kcal/mol:	-87.1
Dipole, Da:	3.5
IP(EA), eV:	-10.48(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-methyl-2-nitro-3-phenylpropanoate

Drug info:

PubChemData

Smile

CC(C)C1(CC(N(O1)OC(C)(C[N+](=O)[O-])C(C)C)([N+](=O)[O-])[N+](=O)[O-])C

DOS

IR

Vibrations