Geometry & MOs

Info

ID:	249148
PubChem CID:	103087228
Reduced:	SN5C12H17 (1)
Stoich.:	AB5C12D17 (1)
Weight, g/mol:	258.21297
ΔH_f, kcal/mol:	94.58
Dipole, Da:	11.62
IP(EA), eV:	-8.58(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-1-[(4-methylsulfanylbutylamino)methyl]cyclohexan-1-amine

Drug info:

PubChemData

Smile

CSCCCCNC1=CC=C(C=C1)N2C=NN=N2

DOS

IR

Vibrations