Geometry & MOs

Info

ID:	207508
PubChem CID:	80406472
Reduced:	ClOSN2C11H11 (1)
Stoich.:	ABCD2E11F11 (1)
Weight, g/mol:	241.123342
ΔH_f, kcal/mol:	-0.36
Dipole, Da:	5.98
IP(EA), eV:	-8.68(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-(1-methoxy-3-methylbutan-2-yl)-2-methylaniline

Drug info:

PubChemData

Smile

C1CC1C(=O)NC2=C(C=CC(=C2)C(=S)N)Cl

DOS

IR

Vibrations