Geometry & MOs

Info

ID:	65527
PubChem CID:	46386589
Reduced:	N3O4C23H23 (1)
Stoich.:	A3B4C23D23 (1)
Weight, g/mol:	403.189592
ΔH_f, kcal/mol:	-75.44
Dipole, Da:	4.55
IP(EA), eV:	-9.23(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=CC=C1)OC2=NC(=NC=C2)C3=CC(=CC=C3)C(=O)NCC4CCCO4

DOS

IR

Vibrations