Geometry & MOs

Info

ID:	224450
PubChem CID:	85343072
Reduced:	SiO5C28H38 (1)
Stoich.:	AB5C28D38 (1)
Weight, g/mol:	481.10723
ΔH_f, kcal/mol:	-247.5
Dipole, Da:	3.14
IP(EA), eV:	-8.95(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-6-[4-[(4-nitrophenyl)methyl]piperazin-1-ium-1-ylidene]benzo[b][1,4]benzodiazepine;chloride

Drug info:

PubChemData

Smile

CCOC(=O)C1C(C2C(CC1(O2)CO)O[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)(C)C

DOS

IR

Vibrations