Geometry & MOs

Info

ID:	226702
PubChem CID:	87556962
Reduced:	SN3O5C21H21 (1)
Stoich.:	AB3C5D21E21 (1)
Weight, g/mol:	710.32549
ΔH_f, kcal/mol:	-114.33
Dipole, Da:	4.96
IP(EA), eV:	-8.04(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-3-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-2-methoxy-5-methylbenzene;2-methanidyl-N,N-dimethylaniline;terbium(3+)

Drug info:

PubChemData

Smile

C1COC2=C1C=C(C=C2)S(=O)(=O)N3C=C(C4=C3C=CC=C4N5CCNCC5)OC=O

DOS

IR

Vibrations