Geometry & MOs

Info

ID:	187851
PubChem CID:	77635027
Reduced:	F2O7C32H42 (1)
Stoich.:	A2B7C32D42 (1)
Weight, g/mol:	404.128469
ΔH_f, kcal/mol:	-389.3
Dipole, Da:	8.01
IP(EA), eV:	-9.1(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[(4-fluorophenyl)methoxy]pyridin-4-yl]methyl]-4-oxo-4aH-quinazoline-2-carboxamide

Drug info:

PubChemData

Smile

CC1CC2C3CC(C4=CC(=CC(=O)C4(C3(CCC2(C1(C(=O)O)OC(=O)OC5CC6CCC5(C6(C)C)C)C)F)C)O)F

DOS

IR

Vibrations