Geometry & MOs

Info

ID:	205020
PubChem CID:	80044760
Reduced:	BrN5C15H22 (1)
Stoich.:	AB5C15D22 (1)
Weight, g/mol:	298.15037
ΔH_f, kcal/mol:	55.16
Dipole, Da:	3.77
IP(EA), eV:	-8.46(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-4-phenyl-2-pyridin-4-ylsulfanylcyclohexan-1-amine

Drug info:

PubChemData

Smile

CCN(C1CCCCC1CN)C2=NN3C=CC=C(C3=N2)Br

DOS

IR

Vibrations