Geometry & MOs

Info

ID:	65486
PubChem CID:	46386548
Reduced:	N3O5H21C26 (1)
Stoich.:	A3B5C21D26 (1)
Weight, g/mol:	425.173942
ΔH_f, kcal/mol:	-61.57
Dipole, Da:	5.84
IP(EA), eV:	-8.88(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OC2=NC(=NC=C2)C3=CC(=CC=C3)C(=O)NCC4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations