Geometry & MOs

Info

ID:	82163
PubChem CID:	49855710
Reduced:	O2N7C15H17 (1)
Stoich.:	A2B7C15D17 (1)
Weight, g/mol:	454.150186
ΔH_f, kcal/mol:	36.93
Dipole, Da:	10.51
IP(EA), eV:	-8.34(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(5-cyano-2-methoxyphenyl)-1-[3-(cyanomethyl)oxetan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CCO1)C2=C(C=NN2)NC(=O)C3=C4N=CC=CN4N=C3

DOS

IR

Vibrations