Geometry & MOs

Info

ID:	82845
PubChem CID:	49856664
Reduced:	NO4C11H11 (1)
Stoich.:	AB4C11D11 (1)
Weight, g/mol:	494.158164
ΔH_f, kcal/mol:	-146.88
Dipole, Da:	5.23
IP(EA), eV:	-9.38(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)C1=C(C(=C(C=C1)C(=O)O)C(=O)C)N

DOS

IR

Vibrations