Geometry & MOs

Info

ID:	154377
PubChem CID:	56313799
Reduced:	FN3O3C26H26 (1)
Stoich.:	AB3C3D26E26 (1)
Weight, g/mol:	381.185255
ΔH_f, kcal/mol:	-120.43
Dipole, Da:	2.65
IP(EA), eV:	-9.08(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-fluorophenyl)-2-methylpropyl]-4-(4-oxo-1H-quinazolin-2-yl)butanamide

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N1)CC(=O)NCC(C)(C)C2=CC=CC=C2F)C3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations