Geometry & MOs

Info

ID:	262740
PubChem CID:	103313246
Reduced:	OSN2C17H20 (1)
Stoich.:	ABC2D17E20 (1)
Weight, g/mol:	274.168128
ΔH_f, kcal/mol:	-2.86
Dipole, Da:	2.24
IP(EA), eV:	-8.86(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(oxan-4-ylmethylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one

Drug info:

PubChemData

Smile

CCC(C1=CC=CS1)NC2CCC3=CC=CC=C3NC2=O

DOS

IR

Vibrations