Geometry & MOs

Info

ID:	384464
PubChem CID:	134977031
Reduced:	BOF4C14H25 (2)
Stoich.:	ABC4D14E25 (2)
Weight, g/mol:	444.163221
ΔH_f, kcal/mol:	-767.26
Dipole, Da:	27.16
IP(EA), eV:	-10.26(-3.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2,3-bis(4-methylphenyl)cyclopropyl]-4-nitroaniline;tetrafluoroborate

Drug info:

PubChemData

Smile

[B-](F)(F)(F)F.[B-](F)(F)(F)F.CCOC1C2[C+]1C(CCCC(C3C([C+]3C(CCCC2(C)C)(C)C)OCC)(C)C)(C)C

DOS

IR

Vibrations