Geometry & MOs

Info

ID:	309844
PubChem CID:	126562088
Reduced:	N3H5C7 (3)
Stoich.:	A3B5C7 (3)
Weight, g/mol:	401.186318
ΔH_f, kcal/mol:	233.91
Dipole, Da:	8.26
IP(EA), eV:	-8.84(-2.47)
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]piperidin-4-ylidene]amino]oxyethyl]acetamide

Drug info:

PubChemData

Smile

CC1=CN(C=N1)C2=CN=CC3=N/C(=C\4/C5=C(NN4)N=CC(=C5)C6=CN=CN=C6)/C=C23

DOS

IR

Vibrations