Geometry & MOs

Info

ID:	332966
PubChem CID:	127251390
Reduced:	O3N5C25H29 (1)
Stoich.:	A3B5C25D29 (1)
Weight, g/mol:	420.216141
ΔH_f, kcal/mol:	-54.06
Dipole, Da:	4.04
IP(EA), eV:	-8.86(-0.7)
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]-3-(2-methylphenoxy)propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OC(C)(C)C(=O)N2CCOC(C2)C3=NC(=CC(=C3)C4=CN=C(N=C4)N)C

DOS

IR

Vibrations