Geometry & MOs

Info

ID:	363194
PubChem CID:	127310262
Reduced:	SO2N4C14H22 (1)
Stoich.:	AB2C4D14E22 (1)
Weight, g/mol:	338.165523
ΔH_f, kcal/mol:	-48.6
Dipole, Da:	5.64
IP(EA), eV:	-8.59(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-4-[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]quinazoline

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=NC=NC(=C2)N3CCS(=O)CC3)CO

DOS

IR

Vibrations