Geometry & MOs

Info

ID:	376720
PubChem CID:	134222745
Reduced:	N4S4C29H58 (1)
Stoich.:	A4B4C29D58 (1)
Weight, g/mol:	308.11396
ΔH_f, kcal/mol:	-56.87
Dipole, Da:	4.18
IP(EA), eV:	-8.59(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-(bromomethyl)cyclohexyl]methyl]-2,3,5-trimethylbenzene

Drug info:

PubChemData

Smile

CCCC(C)(CC)C1CCC1SCCN=C(CCSSCCC(=NCCSC(C)(CCC)CCC)N)N

DOS

IR

Vibrations