Geometry & MOs

Info

ID:	22982
PubChem CID:	600650
Reduced:	N2C11H16 (1)
Stoich.:	A2B11C16 (1)
Weight, g/mol:	176.131349
ΔH_f, kcal/mol:	35.89
Dipole, Da:	3.44
IP(EA), eV:	-8.45(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4,5,5-tetramethyl-1H-azepine-2-carbonitrile

Drug info:

PubChemData

Smile

CC1(C=CNC(=CC1(C)C)C#N)C

DOS

IR

Vibrations