Geometry & MOs

Info

ID:	218003
PubChem CID:	85088723
Reduced:	NO2S2C23H33 (1)
Stoich.:	AB2C2D23E33 (1)
Weight, g/mol:	424.205278
ΔH_f, kcal/mol:	-48.11
Dipole, Da:	1.95
IP(EA), eV:	-8.8(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethylamino-(3-nitrophenyl)methanol;propan-2-ol;titanium

Drug info:

PubChemData

Smile

CCCCCCCC12C3CC(C3C(=O)N1C(CO2)C4=CC=CC=C4)(SC)SC

DOS

IR

Vibrations