Geometry & MOs

Info

ID:	331646
PubChem CID:	127249729
Reduced:	O2N5C17H23 (1)
Stoich.:	A2B5C17D23 (1)
Weight, g/mol:	378.180424
ΔH_f, kcal/mol:	-25.64
Dipole, Da:	7.72
IP(EA), eV:	-8.31(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-[(1,5-dimethylpyrazol-3-yl)amino]pyridin-2-yl]morpholin-4-yl]-pyridin-2-ylmethanone

Drug info:

PubChemData

Smile

CCC(=O)N1CCOC(C1)C2=NC(=CC=C2)NC3=NN(C(=C3)C)C

DOS

IR

Vibrations