Geometry & MOs

Info

ID:	203437
PubChem CID:	79830427
Reduced:	SN2O4C13H24 (1)
Stoich.:	AB2C4D13E24 (1)
Weight, g/mol:	239.144077
ΔH_f, kcal/mol:	-192.24
Dipole, Da:	4.6
IP(EA), eV:	-9.68(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-3-methyl-N-propan-2-ylbutan-1-amine

Drug info:

PubChemData

Smile

CC1CCN(CC1)S(=O)(=O)N2CCCC[C@@H]2C(=O)OC

DOS

IR

Vibrations