Geometry & MOs

Info

ID:	212490
PubChem CID:	81060712
Reduced:	FN3C17H18 (1)
Stoich.:	AB3C17D18 (1)
Weight, g/mol:	277.157898
ΔH_f, kcal/mol:	4.37
Dipole, Da:	5.88
IP(EA), eV:	-9.14(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)NC(C)CC2=CC=C(C=C2)F

DOS

IR

Vibrations