Geometry & MOs

Info

ID:	262748
PubChem CID:	103313827
Reduced:	O2N3C16H23 (1)
Stoich.:	A2B3C16D23 (1)
Weight, g/mol:	260.152478
ΔH_f, kcal/mol:	-64.53
Dipole, Da:	5.94
IP(EA), eV:	-8.79(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-hydroxypiperidin-1-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one

Drug info:

PubChemData

Smile

CC(C1CN(CCO1)C2CCC3=CC=CC=C3NC2=O)N

DOS

IR

Vibrations