Geometry & MOs

Info

ID:	181647
PubChem CID:	76769556
Reduced:	ClO6H21C22 (1)
Stoich.:	AB6C21D22 (1)
Weight, g/mol:	467.304896
ΔH_f, kcal/mol:	-194.63
Dipole, Da:	3.79
IP(EA), eV:	-8.83(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-methylidene-12-phenyl-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1(13),2-diene

Drug info:

PubChemData

Smile

COC1=CC2=CC(=C3C=C(C(=C(C3=C2C=C1CO)CO)CO)OC)C=CC(=O)Cl

DOS

IR

Vibrations