Geometry & MOs

Info

ID:	332125
PubChem CID:	127250411
Reduced:	O4N5C23H25 (1)
Stoich.:	A4B5C23D25 (1)
Weight, g/mol:	423.190654
ΔH_f, kcal/mol:	-55.33
Dipole, Da:	4.65
IP(EA), eV:	-8.98(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-methoxy-4-[[2-[5-(1H-pyrazol-5-yl)pyridin-2-yl]morpholin-4-yl]methyl]phenoxy]acetamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CN2CCOC(C2)C3=NC=C(C=C3)C4=CN=CN=C4)OCC(=O)N

DOS

IR

Vibrations