Geometry & MOs

Info

ID:	50005
PubChem CID:	11538732
Reduced:	NPO7C19H22 (1)
Stoich.:	ABC7D19E22 (1)
Weight, g/mol:	407.175753
ΔH_f, kcal/mol:	-304.02
Dipole, Da:	3.28
IP(EA), eV:	-9.51(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-6,7-dimethoxyquinazoline

Drug info:

PubChemData

Smile

COP(=O)(C(C(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)OC

DOS

IR

Vibrations