Geometry & MOs

Info

ID:	65502
PubChem CID:	46386564
Reduced:	N2O2H13C14 (2)
Stoich.:	A2B2C13D14 (2)
Weight, g/mol:	494.231791
ΔH_f, kcal/mol:	-30.81
Dipole, Da:	4.53
IP(EA), eV:	-8.02(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzylpiperidin-4-yl)-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)NC4=CC=C(C=C4)N5CCOCC5

DOS

IR

Vibrations