Geometry & MOs

Info

ID:	31420
PubChem CID:	855698
Reduced:	OSN6C16H24 (1)
Stoich.:	ABC6D16E24 (1)
Weight, g/mol:	335.107005
ΔH_f, kcal/mol:	39.34
Dipole, Da:	2.44
IP(EA), eV:	-8.94(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-fluoro-2-(furan-2-yl)-5-(4-methoxyphenyl)-4H-1,3,4-benzotriazepine

Drug info:

PubChemData

Smile

CC(C)[C@H](C1=NN=NN1CC2=CC=CS2)N3CCC(CC3)C(=O)N

DOS

IR

Vibrations