Geometry & MOs

Info

ID:	398672
PubChem CID:	135034747
Reduced:	NPO5H20C21 (1)
Stoich.:	ABC5D20E21 (1)
Weight, g/mol:	363.12356
ΔH_f, kcal/mol:	-121.18
Dipole, Da:	5.74
IP(EA), eV:	-9.38(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3,3-dimethyl-1-nitrobutan-2-yl)-phenoxyphosphoryl]oxybenzene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C[N+](=O)[O-])P(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3

DOS

IR

Vibrations