Geometry & MOs

Info

ID:	309834
PubChem CID:	126561564
Reduced:	ClN3H14C17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	501.238747
ΔH_f, kcal/mol:	74.56
Dipole, Da:	3.26
IP(EA), eV:	-8.49(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[[1-[5-[2-fluoro-3-(hydroxymethyl)phenyl]pyrimidin-2-yl]azetidin-3-ylidene]amino]oxymethyl]-3-(oxan-2-yloxy)propyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C2=NC=CN=C2C3=CC=C(C=C3)N)Cl

DOS

IR

Vibrations