Geometry & MOs

Info

ID:	299417
PubChem CID:	117682871
Reduced:	SN3H17C18 (1)
Stoich.:	AB3C17D18 (1)
Weight, g/mol:	504.253669
ΔH_f, kcal/mol:	78.01
Dipole, Da:	5.27
IP(EA), eV:	-8.27(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC2=CN=C(C=C2C1)NC3=NC(=CS3)C4=CC=CC=C4

DOS

IR

Vibrations