Geometry & MOs

Info

ID:	65494
PubChem CID:	46386556
Reduced:	N3O3C23H23 (1)
Stoich.:	A3B3C23D23 (1)
Weight, g/mol:	417.205242
ΔH_f, kcal/mol:	-34.41
Dipole, Da:	2.44
IP(EA), eV:	-9.06(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1OC2=NC(=NC=C2)C3=CC(=CC=C3)C(=O)NC4CCCC4

DOS

IR

Vibrations