Geometry & MOs

Info

ID:	219136
PubChem CID:	85090804
Reduced:	N3O6H33C35 (1)
Stoich.:	A3B6C33D35 (1)
Weight, g/mol:	592.167411
ΔH_f, kcal/mol:	-79.64
Dipole, Da:	4.94
IP(EA), eV:	-8.74(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,3-trimethyl-5-nitro-2-[3-(1,3,3-trimethyl-5-nitroindol-1-ium-2-yl)prop-2-enylidene]indole;hexafluorophosphate

Drug info:

PubChemData

Smile

C1CC1CN2CCC34C5C(=NOC6=CC=C(C=C6)CN7C(=O)C8=CC=CC=C8C7=O)CCC3(C2CC9=C4C(=C(C=C9)O)O5)O

DOS

IR

Vibrations