Geometry & MOs

Info

ID:	211914
PubChem CID:	81058813
Reduced:	ON2C16H28 (1)
Stoich.:	AB2C16D28 (1)
Weight, g/mol:	274.207885
ΔH_f, kcal/mol:	-41.73
Dipole, Da:	3.3
IP(EA), eV:	-8.74(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(aminomethyl)-N,4,4-trimethyl-N-(2-propan-2-yloxyethyl)thian-3-amine

Drug info:

PubChemData

Smile

CC(C)OCCN(C)C(C)(CC1=CC=CC=C1)CN

DOS

IR

Vibrations