Geometry & MOs

Info

ID:	264420
PubChem CID:	103460177
Reduced:	ON4C11H20 (1)
Stoich.:	AB4C11D20 (1)
Weight, g/mol:	217.157898
ΔH_f, kcal/mol:	-30.6
Dipole, Da:	1.7
IP(EA), eV:	-8.79(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-(2,2-dimethylbutylamino)benzonitrile

Drug info:

PubChemData

Smile

CCC(C)(C)CNC1=C(C(=NC=N1)OC)N

DOS

IR

Vibrations