Geometry & MOs

Info

ID:	204704
PubChem CID:	79999125
Reduced:	ClN2C18H25 (1)
Stoich.:	AB2C18D25 (1)
Weight, g/mol:	284.225249
ΔH_f, kcal/mol:	-30.92
Dipole, Da:	1.54
IP(EA), eV:	-8.42(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(3,5-dimethyl-1-adamantyl)-2-methylbenzene-1,4-diamine

Drug info:

PubChemData

Smile

CC12CC3CC(C1)(CC(C3)(C2)NC4=C(C=CC=C4Cl)N)C

DOS

IR

Vibrations