Geometry & MOs

Info

ID:	333147
PubChem CID:	127251695
Reduced:	O3N6C20H26 (1)
Stoich.:	A3B6C20D26 (1)
Weight, g/mol:	448.202302
ΔH_f, kcal/mol:	-36.29
Dipole, Da:	9.19
IP(EA), eV:	-8.84(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenyl)-1-[2-[2-methyl-3-[(2-methylimidazol-1-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NN2C(=CC=NC2=C1CN3C=CN=C3C)C4CN(CCO4)C(=O)CCOC

DOS

IR

Vibrations