Geometry & MOs

Info

ID:	83031
PubChem CID:	49857036
Reduced:	N2O2C21H32 (1)
Stoich.:	A2B2C21D32 (1)
Weight, g/mol:	481.162915
ΔH_f, kcal/mol:	-77.88
Dipole, Da:	3.53
IP(EA), eV:	-8.85(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(5-chloro-2-methoxyphenyl)-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)C1=CC=C(C=C1)OCCCN2CCCC2)N3CCCCC3

DOS

IR

Vibrations