Geometry & MOs

Info

ID:	65525
PubChem CID:	46386587
Reduced:	NOC7H7 (3)
Stoich.:	ABC7D7 (3)
Weight, g/mol:	377.173942
ΔH_f, kcal/mol:	-37.35
Dipole, Da:	4.41
IP(EA), eV:	-9.23(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC=CC(=C1)C2=NC=CC(=N2)OC3=CC=CC(=C3)OC

DOS

IR

Vibrations