Geometry & MOs

Info

ID:	203726
PubChem CID:	79862078
Reduced:	ON2C17H24 (1)
Stoich.:	AB2C17D24 (1)
Weight, g/mol:	303.146842
ΔH_f, kcal/mol:	-16.71
Dipole, Da:	4.86
IP(EA), eV:	-9.03(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2,2-dimethylcyclohexan-1-amine

Drug info:

PubChemData

Smile

CC1(CCCCC1NCC2=CC(=C(C=C2)OC)C#N)C

DOS

IR

Vibrations