Geometry & MOs

Info

ID:	242533
PubChem CID:	97301885
Reduced:	N2O4C27H30 (1)
Stoich.:	A2B4C27D30 (1)
Weight, g/mol:	486.251858
ΔH_f, kcal/mol:	-10.73
Dipole, Da:	7.57
IP(EA), eV:	-8.79(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[4-[(E)-1-(4-methoxyphenyl)-2-nitro-2-phenylethenyl]phenoxy]pentyl]pyrrolidine

Drug info:

PubChemData

Smile

CN(C)CCCCOC1=CC=C(C=C1)/C(=C(\C2=CC=CC=C2)/[N+](=O)[O-])/C3=CC=C(C=C3)OC

DOS

IR

Vibrations