Geometry & MOs

Info

ID:	177930
PubChem CID:	76253494
Reduced:	FN5O5C24H26 (1)
Stoich.:	AB5C5D24E26 (1)
Weight, g/mol:	366.169191
ΔH_f, kcal/mol:	-178.68
Dipole, Da:	4.15
IP(EA), eV:	-8.71(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-ethoxypyridin-4-yl)methyl]-4-(4-oxo-4aH-quinazolin-2-yl)butanamide

Drug info:

PubChemData

Smile

CC1=NC(=NC(=O)C1CCC(=O)NC2=CC(=C(C=C2)F)NC(=O)C3=C(OC=C3)C)N4CCOCC4

DOS

IR

Vibrations