Geometry & MOs

Info

ID:	332043
PubChem CID:	127250329
Reduced:	O3N4C26H26 (1)
Stoich.:	A3B4C26D26 (1)
Weight, g/mol:	447.146203
ΔH_f, kcal/mol:	-36.01
Dipole, Da:	4.43
IP(EA), eV:	-9.26(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations