Geometry & MOs

Info

ID:	449651
PubChem CID:	135300341
Reduced:	OSN4C22H22 (1)
Stoich.:	ABC4D22E22 (1)
Weight, g/mol:	415.200825
ΔH_f, kcal/mol:	83.2
Dipole, Da:	3.47
IP(EA), eV:	-8.58(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(4-methoxyphenyl)-7-(1-methylpyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone

Drug info:

PubChemData

Smile

CCCCSC1=NN2C(=CC(=NC2=N1)C3=CC=C(C=C3)OC)C4=CC=CC=C4

DOS

IR

Vibrations