Geometry & MOs

Info

ID:	332957
PubChem CID:	127251381
Reduced:	O2N6C25H30 (1)
Stoich.:	A2B6C25D30 (1)
Weight, g/mol:	447.263425
ΔH_f, kcal/mol:	-15.29
Dipole, Da:	6.66
IP(EA), eV:	-8.67(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-[2-[6-methyl-4-(1-methylpyrazol-4-yl)pyridin-2-yl]morpholin-4-yl]-N-propan-2-ylacetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)C(=O)CCC3=NNC4=C3CCCC4)C5=CN=C(C=C5)N

DOS

IR

Vibrations