Geometry & MOs

Info

ID:	333502
PubChem CID:	127252054
Reduced:	O3N5C20H27 (1)
Stoich.:	A3B5C20D27 (1)
Weight, g/mol:	412.204531
ΔH_f, kcal/mol:	-78.76
Dipole, Da:	7.72
IP(EA), eV:	-9.15(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[[6-[(dimethylamino)methyl]pyrazolo[1,5-a]pyrimidin-7-yl]methyl]piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone

Drug info:

PubChemData

Smile

CC1=NN2C(=C1)N=CC(=C2C3CN(CCO3)C(=O)C4CCCC4)CNC(=O)C

DOS

IR

Vibrations