Geometry & MOs

Info

ID:	65556
PubChem CID:	46386619
Reduced:	N3O5H23C26 (1)
Stoich.:	A3B5C23D26 (1)
Weight, g/mol:	489.0688
ΔH_f, kcal/mol:	-78.37
Dipole, Da:	4.81
IP(EA), eV:	-8.16(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-bromophenyl)methyl]-3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]benzamide

Drug info:

PubChemData

Smile

COC1=CC(=CC=C1)OC2=NC(=NC=C2)C3=CC(=CC=C3)C(=O)NC4=C(C=C(C=C4)OC)OC

DOS

IR

Vibrations