Geometry & MOs

Info

ID:	202779
PubChem CID:	79724502
Reduced:	NF3H12C14 (1)
Stoich.:	AB3C12D14 (1)
Weight, g/mol:	224.13472
ΔH_f, kcal/mol:	-102.32
Dipole, Da:	2.11
IP(EA), eV:	-9.5(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(2-thiophen-2-ylethyl)cyclohexane-1,4-diamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)F)C(C2=CC=C(C=C2)F)N

DOS

IR

Vibrations