Geometry & MOs

Info

ID:	379585
PubChem CID:	134447744
Reduced:	FN2O3C21H21 (1)
Stoich.:	AB2C3D21E21 (1)
Weight, g/mol:	456.256549
ΔH_f, kcal/mol:	-94.92
Dipole, Da:	10.91
IP(EA), eV:	-9.1(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-cyclohepta-1,4,6-trien-1-yl-4-N-(4-cyclohepta-1,4,6-trien-1-ylphenyl)-1-N-phenylcyclohepta-1,3-diene-1,4-diamine

Drug info:

PubChemData

Smile

CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)C4CC=C(C=C4)CN

DOS

IR

Vibrations