Geometry & MOs

Info

ID:	333462
PubChem CID:	127252014
Reduced:	O2N5C23H25 (1)
Stoich.:	A2B5C23D25 (1)
Weight, g/mol:	403.200825
ΔH_f, kcal/mol:	2.7
Dipole, Da:	4.89
IP(EA), eV:	-8.78(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenoxy-1-[2-[6-(pyrazin-2-ylamino)pyridin-3-yl]piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=CN=C(C=C2)NC3=NC=CN=C3)C(=O)CCC4=CC=C(C=C4)O

DOS

IR

Vibrations