Geometry & MOs

Info

ID:	212520
PubChem CID:	81060828
Reduced:	ON4C16H24 (1)
Stoich.:	AB4C16D24 (1)
Weight, g/mol:	277.157898
ΔH_f, kcal/mol:	-15.3
Dipole, Da:	6.94
IP(EA), eV:	-8.81(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)N2CCN(CC2)CC(C)(C)O

DOS

IR

Vibrations