Geometry & MOs

Info

ID:	409669
PubChem CID:	135082451
Reduced:	H24C25 (1)
Stoich.:	A24B25 (1)
Weight, g/mol:	220.157563
ΔH_f, kcal/mol:	179.39
Dipole, Da:	1.06
IP(EA), eV:	-8.16(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(diethylamino)-6-propan-2-ylazepin-4-one

Drug info:

PubChemData

Smile

C1C\2=CC=CC=C1/C=C/C=C/C=C\C=C\C=C\C=C\C=C/C=C/C=C2

DOS

IR

Vibrations