Geometry & MOs

Info

ID:	375033
PubChem CID:	131465276
Reduced:	NC6H8 (2)
Stoich.:	AB6C8 (2)
Weight, g/mol:	188.131349
ΔH_f, kcal/mol:	27.7
Dipole, Da:	5.41
IP(EA), eV:	-8.6(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-5-(methylamino)benzonitrile

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=C(C=C1)C#N)NC

DOS

IR

Vibrations