Geometry & MOs

Info

ID:	299418
PubChem CID:	117682881
Reduced:	FO3N4C29H33 (1)
Stoich.:	AB3C4D29E33 (1)
Weight, g/mol:	514.258006
ΔH_f, kcal/mol:	-78.73
Dipole, Da:	7.53
IP(EA), eV:	-8.93(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-[2-(3-acetylphenyl)pyrimidin-4-yl]piperidin-4-yl]methyl]-3-(cyclopropylmethoxy)-5-methoxybenzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NC=C(C(=N2)N3CCC(CC3)CNC(=O)C4=CC(=CC(=C4)OCC5CC5)OC)F

DOS

IR

Vibrations