Geometry & MOs

Info

ID:	332220
PubChem CID:	127250506
Reduced:	O2N3H25C26 (1)
Stoich.:	A2B3C25D26 (1)
Weight, g/mol:	378.180424
ΔH_f, kcal/mol:	32.07
Dipole, Da:	2.53
IP(EA), eV:	-8.73(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NC(=CC=C2)C3CN(CCO3)CC4=CC5=C(C=C4)N=CC=C5

DOS

IR

Vibrations