Geometry & MOs

Info

ID:	297814
PubChem CID:	117632796
Reduced:	NOH11C14 (1)
Stoich.:	ABC11D14 (1)
Weight, g/mol:	387.160772
ΔH_f, kcal/mol:	210.43
Dipole, Da:	4.55
IP(EA), eV:	-9.24(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(5-fluoropyrazin-2-yl)-5-methylidene-2-(3-methyl-1,2,4-triazol-1-yl)-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinoline

Drug info:

PubChemData

Smile

C1C2=CC#CC=C2OCN1C3=CC=CC=C3

DOS

IR

Vibrations