Geometry & MOs

Info

ID:	204703
PubChem CID:	79999124
Reduced:	N3C17H25 (1)
Stoich.:	A3B17C25 (1)
Weight, g/mol:	304.170627
ΔH_f, kcal/mol:	-8.29
Dipole, Da:	2.52
IP(EA), eV:	-8.17(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-2-N-(3,5-dimethyl-1-adamantyl)benzene-1,2-diamine

Drug info:

PubChemData

Smile

CC12CC3CC(C1)(CC(C3)(C2)NC4=C(C=CC=N4)N)C

DOS

IR

Vibrations