Geometry & MOs

Info

ID:	386906
PubChem CID:	134983335
Reduced:	NO3H19C23 (1)
Stoich.:	AB3C19D23 (1)
Weight, g/mol:	483.204573
ΔH_f, kcal/mol:	23.11
Dipole, Da:	7.61
IP(EA), eV:	-9.47(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[5-(4-methoxyphenyl)-7-methyl-7-morpholin-4-ylcyclopenta[f][1,3]benzodioxol-6-yl]phenyl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(C(C3=CC=CC=C32)(C)O)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations