Geometry & MOs

Info

ID:	332269
PubChem CID:	127250555
Reduced:	ON3C10H10 (2)
Stoich.:	AB3C10D10 (2)
Weight, g/mol:	364.164774
ΔH_f, kcal/mol:	33.39
Dipole, Da:	7.88
IP(EA), eV:	-8.93(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(methylamino)pyridin-4-yl]-[2-[6-(1H-pyrazol-4-yl)pyridin-2-yl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CNC1=NC=CC(=C1)C(=O)N2CCOC(C2)C3=CC=CC(=N3)C4=CN=CN=C4

DOS

IR

Vibrations