Geometry & MOs

Info

ID:	331904
PubChem CID:	127250190
Reduced:	FO2N3C26H26 (1)
Stoich.:	AB2C3D26E26 (1)
Weight, g/mol:	441.216475
ΔH_f, kcal/mol:	-46.39
Dipole, Da:	3.73
IP(EA), eV:	-9.21(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-[2-[5-[(4-methylphenyl)methyl]pyridin-2-yl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)CN2CC3=CC=CC=C3C2)C4=NC=C(C=C4)CC5=CC=C(C=C5)F

DOS

IR

Vibrations