Geometry & MOs

Info

ID:	262755
PubChem CID:	103314431
Reduced:	FNSC16H16 (1)
Stoich.:	ABCD16E16 (1)
Weight, g/mol:	257.12766
ΔH_f, kcal/mol:	-5.25
Dipole, Da:	2.58
IP(EA), eV:	-8.54(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(aminomethyl)-1,2,4-triazol-1-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2NCC1SC3=CC=CC=C3F

DOS

IR

Vibrations