Geometry & MOs

Info

ID:	139601
PubChem CID:	52568436
Reduced:	N2O4C19H20 (1)
Stoich.:	A2B4C19D20 (1)
Weight, g/mol:	340.142307
ΔH_f, kcal/mol:	-52.44
Dipole, Da:	8.91
IP(EA), eV:	-9.27(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-nitro-4-[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]amino]phenyl]-phenylmethanone

Drug info:

PubChemData

Smile

C[C@H]([C@@H]1CCCO1)NC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations