Geometry & MOs

Info

ID:	191550
PubChem CID:	78162825
Reduced:	O5C13H20 (1)
Stoich.:	A5B13C20 (1)
Weight, g/mol:	574.04357
ΔH_f, kcal/mol:	-225.49
Dipole, Da:	2.31
IP(EA), eV:	-10.12(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromophenyl)methyl-[3,3-dimethyl-2-[(4-nitrophenyl)carbamothioylamino]butyl]-dimethylazanium;bromide

Drug info:

PubChemData

Smile

COC(=O)C=CC(C1COC2(O1)CCCCC2)O

DOS

IR

Vibrations