Geometry & MOs

Info

ID:	188629
PubChem CID:	77745102
Reduced:	FCl2O2N5C30H36 (1)
Stoich.:	AB2C2D5E30F36 (1)
Weight, g/mol:	322.99055
ΔH_f, kcal/mol:	-18.31
Dipole, Da:	11.62
IP(EA), eV:	-4.89(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromo-2-oxo-5H-pyrimidin-4-yl)-4-methoxybenzamide

Drug info:

PubChemData

Smile

CC1(CC2C3(C(C(N2)C(=O)NCCCN4CCN(C1C4)C)C5=CC(=CC=C5)Cl)C6=CC(=C(C=C6NC3=O)Cl)F)C

DOS

IR

Vibrations