Geometry & MOs

Info

ID:	445014
PubChem CID:	135264270
Reduced:	OSN5C14H15 (1)
Stoich.:	ABC5D14E15 (1)
Weight, g/mol:	349.19026
ΔH_f, kcal/mol:	58.49
Dipole, Da:	4.29
IP(EA), eV:	-9.03(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5-cyclopropyl-1-propan-2-ylpyrrol-3-yl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=NCC(S1)C2=C(C(=O)N3C(=N2)C(=CN3)C#N)C(C)C

DOS

IR

Vibrations