Geometry & MOs

Info

ID:	46936
PubChem CID:	10528506
Reduced:	NO2H11C15 (2)
Stoich.:	AB2C11D15 (2)
Weight, g/mol:	474.299476
ΔH_f, kcal/mol:	119.85
Dipole, Da:	0.8
IP(EA), eV:	-8.28(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(4,5-diphenyl-1H-imidazol-2-yl)-5-methyl-1,3-dioxan-5-yl]butyl]-4-methylpiperazine

Drug info:

PubChemData

Smile

CC12C3=CC(=CC1=CC=C4C2(C(=CC(=C4)C5=CC=CC=C5[N+](=O)[O-])C=C3)C)C6=CC=CC=C6[N+](=O)[O-]

DOS

IR

Vibrations