Geometry & MOs

Info

ID:	332929
PubChem CID:	127251353
Reduced:	N2O2C12H13 (2)
Stoich.:	A2B2C12D13 (2)
Weight, g/mol:	314.174276
ΔH_f, kcal/mol:	-86.88
Dipole, Da:	6.06
IP(EA), eV:	-8.84(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-methyl-4-(1-methylpyrazol-4-yl)pyridin-2-yl]morpholin-4-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)C(=O)C3=C(C=CC=C3OC)OC)C4=CN=C(C=C4)N

DOS

IR

Vibrations