Geometry & MOs

Info

ID:	171709
PubChem CID:	75415784
Reduced:	FN3O3C19H22 (1)
Stoich.:	AB3C3D19E22 (1)
Weight, g/mol:	322.142976
ΔH_f, kcal/mol:	-122.43
Dipole, Da:	3.92
IP(EA), eV:	-8.75(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-N-[2-(quinazolin-4-ylamino)ethyl]benzamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN=C(C=C1)NCC2=CC(=C(C=C2)N3CCOCC3)F

DOS

IR

Vibrations