Geometry & MOs

Info

ID:	209117
PubChem CID:	80626742
Reduced:	N2O2C17H22 (1)
Stoich.:	A2B2C17D22 (1)
Weight, g/mol:	255.202071
ΔH_f, kcal/mol:	-43.83
Dipole, Da:	1.45
IP(EA), eV:	-8.59(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dimethylcyclohexyl)-N-methyl-1-(thian-2-yl)methanamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC2=NC=C(C=C2C)CC(C)N)OC

DOS

IR

Vibrations