Geometry & MOs

Info

ID:	65488
PubChem CID:	46386550
Reduced:	N3O5H25C27 (1)
Stoich.:	A3B5C25D27 (1)
Weight, g/mol:	441.168856
ΔH_f, kcal/mol:	-81.56
Dipole, Da:	6.69
IP(EA), eV:	-8.61(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OC2=NC(=NC=C2)C3=CC(=CC=C3)C(=O)NCC4=C(C=C(C=C4)OC)OC

DOS

IR

Vibrations