Geometry & MOs

Info

ID:	425935
PubChem CID:	135132657
Reduced:	FNO5C24H28 (1)
Stoich.:	ABC5D24E28 (1)
Weight, g/mol:	427.235873
ΔH_f, kcal/mol:	-193.29
Dipole, Da:	13.5
IP(EA), eV:	-8.63(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyl-6-tert-butyl-11-methoxy-10-(3-methoxypropoxy)-7,8-dihydro-6H-pyrido[2,1-a][2]benzazepin-2-one

Drug info:

PubChemData

Smile

CC(=O)C1=CN2C(CC3=CC(=C(C=C3C2=C(C1=O)F)OC)OCCCOC)C4(CC4)C

DOS

IR

Vibrations