Geometry & MOs

Info

ID:	327586
PubChem CID:	126690416
Reduced:	SN2O2C16H20 (1)
Stoich.:	AB2C2D16E20 (1)
Weight, g/mol:	245.21435
ΔH_f, kcal/mol:	-53.27
Dipole, Da:	2.42
IP(EA), eV:	-8.79(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(2,2-dimethylpropyl)-3-methylphenyl]-N-methylbut-1-en-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)OC)NC(=O)C2=CSC(=C2C)CNC

DOS

IR

Vibrations