Geometry & MOs

Info

ID:	332243
PubChem CID:	127250529
Reduced:	N4O4H24C25 (1)
Stoich.:	A4B4C24D25 (1)
Weight, g/mol:	408.216141
ΔH_f, kcal/mol:	-55.44
Dipole, Da:	3.47
IP(EA), eV:	-8.4(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-(4-methoxyphenyl)pyridin-2-yl]morpholin-4-yl]-3-(5-methyl-3,4-dihydropyrazol-2-yl)propan-1-one

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)OCC(=C2)C(=O)N3CCOC(C3)C4=CC=CC(=N4)C5=CN=C(C=C5)N

DOS

IR

Vibrations