Geometry & MOs

Info

ID:	65523
PubChem CID:	46386585
Reduced:	N3O3H19C21 (1)
Stoich.:	A3B3C19D21 (1)
Weight, g/mol:	363.158292
ΔH_f, kcal/mol:	-6.53
Dipole, Da:	6.17
IP(EA), eV:	-9.22(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-propan-2-ylbenzamide

Drug info:

PubChemData

Smile

COC1=CC(=CC=C1)OC2=NC(=NC=C2)C3=CC(=CC=C3)C(=O)NC4CC4

DOS

IR

Vibrations