Geometry & MOs

Info

ID:	332002
PubChem CID:	127250288
Reduced:	O3N4C23H24 (1)
Stoich.:	A3B4C23D24 (1)
Weight, g/mol:	392.184841
ΔH_f, kcal/mol:	-28.32
Dipole, Da:	6.82
IP(EA), eV:	-8.78(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methoxyphenyl)-1-[2-[5-(1H-pyrazol-4-yl)pyridin-2-yl]morpholin-4-yl]propan-1-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CCC(=O)N2CCOC(C2)C3=NC=C(C=C3)C4=CN=CN=C4

DOS

IR

Vibrations