Geometry & MOs

Info

ID:	331645
PubChem CID:	127249728
Reduced:	O2N4C23H26 (1)
Stoich.:	A2B4C23D26 (1)
Weight, g/mol:	329.185175
ΔH_f, kcal/mol:	5.47
Dipole, Da:	2.02
IP(EA), eV:	-8.58(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CCN2CCOC(C2)C3=NC(=CC=C3)NC4=CC=CC=N4

DOS

IR

Vibrations