Geometry & MOs

Info

ID:	331897
PubChem CID:	127250183
Reduced:	ON3H25C26 (1)
Stoich.:	AB3C25D26 (1)
Weight, g/mol:	436.211055
ΔH_f, kcal/mol:	63.08
Dipole, Da:	3.88
IP(EA), eV:	-8.71(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-[(2,5-dimethoxyphenyl)methyl]pyridin-2-yl]morpholin-4-yl]-(1,5-dimethylpyrazol-4-yl)methanone

Drug info:

PubChemData

Smile

C1COC(CN1CC2=CC3=C(C=C2)N=CC=C3)C4=NC=C(C=C4)CC5=CC=CC=C5

DOS

IR

Vibrations