Geometry & MOs

Info

ID:	83462
PubChem CID:	49857620
Reduced:	SN2O2C21H32 (1)
Stoich.:	AB2C2D21E32 (1)
Weight, g/mol:	394.094501
ΔH_f, kcal/mol:	-70.91
Dipole, Da:	6.0
IP(EA), eV:	-8.4(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(5-chloro-2-cyclopropyloxyphenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)C1=CC=C(C=C1)OCCCN2CCCCC2)N3CCSCC3

DOS

IR

Vibrations