Geometry & MOs

Info

ID:	442833
PubChem CID:	135256507
Reduced:	ISF3H4C12 (1)
Stoich.:	ABC3D4E12 (1)
Weight, g/mol:	225.24565
ΔH_f, kcal/mol:	-67.25
Dipole, Da:	3.46
IP(EA), eV:	-8.95(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-heptyl-N,N-dimethylcyclohexan-1-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C2=C1C3=C(S2)C(=C(C=C3)I)F)F)F

DOS

IR

Vibrations