Geometry & MOs

Info

ID:	331799
PubChem CID:	127250083
Reduced:	F2O2N3H23C26 (1)
Stoich.:	A2B2C3D23E26 (1)
Weight, g/mol:	447.146203
ΔH_f, kcal/mol:	-89.23
Dipole, Da:	2.9
IP(EA), eV:	-8.63(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-[(2-chlorophenyl)methyl]pyridin-2-yl]morpholin-4-yl]-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=C2C=C(NC2=CC=C1)C(=O)N3CCOC(C3)C4=CC=CC(=N4)CC5=C(C=CC=C5F)F

DOS

IR

Vibrations