Geometry & MOs

Info

ID:	82043
PubChem CID:	49855518
Reduced:	ON7C17H21 (1)
Stoich.:	AB7C17D21 (1)
Weight, g/mol:	488.192051
ΔH_f, kcal/mol:	65.63
Dipole, Da:	9.58
IP(EA), eV:	-8.25(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CCCN(C1)C2=C(C=NN2)NC(=O)C3=C4N=CC=CN4N=C3)C

DOS

IR

Vibrations