Geometry & MOs

Info

ID:	410452
PubChem CID:	135083249
Reduced:	NH7C10 (3)
Stoich.:	AB7C10 (3)
Weight, g/mol:	206.141913
ΔH_f, kcal/mol:	220.5
Dipole, Da:	7.28
IP(EA), eV:	-9.36(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(diethylamino)-2,5-dimethylazepin-4-one

Drug info:

PubChemData

Smile

CC(=C1C(=C(C)C2=CC=C(C=C2)C#N)C1=C(C)C3=CC=C(C=C3)C#N)C4=CC=C(C=C4)C#N

DOS

IR

Vibrations