Geometry & MOs

Info

ID:	331607
PubChem CID:	127249616
Reduced:	O2N6C25H32 (1)
Stoich.:	A2B6C25D32 (1)
Weight, g/mol:	338.221895
ΔH_f, kcal/mol:	-32.07
Dipole, Da:	4.8
IP(EA), eV:	-9.06(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-7-[1-(2-methylpropyl)pyrrolidin-3-yl]-3-(pyrazol-1-ylmethyl)pyrazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CC1=C2CC(=O)N(C2=NC(=N1)C3CCN(C3)C(=O)C4=NNC5=C4CCC5)CC6CCCCC6

DOS

IR

Vibrations