Geometry & MOs

Info

ID:	343840
PubChem CID:	127267016
Reduced:	N5C20H23 (1)
Stoich.:	A5B20C23 (1)
Weight, g/mol:	348.190989
ΔH_f, kcal/mol:	120.11
Dipole, Da:	6.34
IP(EA), eV:	-9.18(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 1-methyl-5-[[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]methyl]pyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CN=C1)CCNCC2=C(N(N=N2)C3=CC=CC=C3)C4CC4

DOS

IR

Vibrations