Geometry & MOs

Info

ID:	192130
PubChem CID:	78232762
Reduced:	F2O2N3C23H25 (1)
Stoich.:	A2B2C3D23E25 (1)
Weight, g/mol:	425.07389
ΔH_f, kcal/mol:	-144.06
Dipole, Da:	4.78
IP(EA), eV:	-9.61(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-cyclopentyl-N-[(4-oxo-4aH-quinazolin-2-yl)methyl]benzamide

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(=O)NC(N2)CN(CC3=CC=C(C=C3)F)C(=O)C4=CC(=CC=C4)F

DOS

IR

Vibrations