Geometry & MOs

Info

ID:	398648
PubChem CID:	135034562
Reduced:	NOH17C21 (1)
Stoich.:	ABC17D21 (1)
Weight, g/mol:	297.212406
ΔH_f, kcal/mol:	50.41
Dipole, Da:	2.75
IP(EA), eV:	-8.06(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-1,2,3,4-tetrahydroazepin-5-one

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C2=C3C(=CC=C2)C4=CC=CC=C4C3=O

DOS

IR

Vibrations