Geometry & MOs

Info

ID:	333140
PubChem CID:	127251688
Reduced:	ON3C12H16 (2)
Stoich.:	AB3C12D16 (2)
Weight, g/mol:	446.206639
ΔH_f, kcal/mol:	-14.59
Dipole, Da:	8.88
IP(EA), eV:	-8.87(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN2C(=CC=NC2=C1CN3C=CN=C3C)C4CN(CCO4)C(=O)CC5CCCCC5

DOS

IR

Vibrations