Geometry & MOs

Info

ID:	57820
PubChem CID:	24277560
Reduced:	OSN3C15H15 (1)
Stoich.:	ABC3D15E15 (1)
Weight, g/mol:	273.093583
ΔH_f, kcal/mol:	-1.19
Dipole, Da:	3.82
IP(EA), eV:	-8.3(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(2-amino-5-methyl-1,3-thiazol-4-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one

Drug info:

PubChemData

Smile

C1CC2=C3C(=CC(=C2)C4=CSC(=N4)N)CCC(=O)N3C1

DOS

IR

Vibrations