Geometry & MOs

Info

ID:	411749
PubChem CID:	135084583
Reduced:	NOC17H18 (2)
Stoich.:	ABC17D18 (2)
Weight, g/mol:	268.116738
ΔH_f, kcal/mol:	-1.83
Dipole, Da:	0.85
IP(EA), eV:	-8.81(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

azanide;carbanide;2-[2-(1H-pyrrol-2-yl)propan-2-yl]pyrrol-1-ide;titanium(4+)

Drug info:

PubChemData

Smile

CC(C)C[C@H]1COC(=N1)C2=C(C3=CC=CC=C3C=C2)C4=C(C=CC5=CC=CC=C54)C6=N[C@H](CO6)CC(C)C

DOS

IR

Vibrations