Geometry & MOs

Info

ID:	203628
PubChem CID:	79852655
Reduced:	SN2C15H30 (1)
Stoich.:	AB2C15D30 (1)
Weight, g/mol:	295.133907
ΔH_f, kcal/mol:	-32.48
Dipole, Da:	1.8
IP(EA), eV:	-8.55(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-N-(2,2-dimethylcyclohexyl)anilino)acetic acid

Drug info:

PubChemData

Smile

CC1(CCCC(C1NC)CN(C)C2CCSC2)C

DOS

IR

Vibrations