Geometry & MOs

Info

ID:	282339
PubChem CID:	103922759
Reduced:	BrClNOSC12H17 (1)
Stoich.:	ABCDEF12G17 (1)
Weight, g/mol:	326.256943
ΔH_f, kcal/mol:	-34.39
Dipole, Da:	4.07
IP(EA), eV:	-8.79(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-cyclopropyl-N-[3-[(2,6-dimethyloxan-4-yl)amino]propyl]carbamate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CNCCSCCCO)Br)Cl

DOS

IR

Vibrations