Geometry & MOs

Info

ID:	343847
PubChem CID:	127267023
Reduced:	ON3C20H27 (1)
Stoich.:	AB3C20D27 (1)
Weight, g/mol:	348.190989
ΔH_f, kcal/mol:	-9.39
Dipole, Da:	2.72
IP(EA), eV:	-8.23(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 1-methyl-4-[[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]methyl]pyrazole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CN=C1)CCNCC2=CC=C(C=C2)N3CCC(CC3)O

DOS

IR

Vibrations