Geometry & MOs

Info

ID:	65522
PubChem CID:	46386584
Reduced:	N3O3C22H23 (1)
Stoich.:	A3B3C22D23 (1)
Weight, g/mol:	361.142641
ΔH_f, kcal/mol:	-43.22
Dipole, Da:	4.74
IP(EA), eV:	-9.27(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations