Geometry & MOs

Info

ID:	65492
PubChem CID:	46386554
Reduced:	NOC7H7 (3)
Stoich.:	ABC7D7 (3)
Weight, g/mol:	403.189592
ΔH_f, kcal/mol:	-34.43
Dipole, Da:	4.66
IP(EA), eV:	-8.88(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]phenyl]-(4-methylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=CC=CC(=C1)C2=NC=CC(=N2)OC3=CC=CC=C3OC

DOS

IR

Vibrations