Geometry & MOs

Info

ID:	330170
PubChem CID:	127247157
Reduced:	ON5C16H23 (1)
Stoich.:	AB5C16D23 (1)
Weight, g/mol:	301.226646
ΔH_f, kcal/mol:	7.64
Dipole, Da:	0.96
IP(EA), eV:	-9.16(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butyl-3-methyl-4-[[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrazole

Drug info:

PubChemData

Smile

CC1=C(NN=C1)C2CCN(C2)C(=O)CCC3=C(N(N=C3)C)C

DOS

IR

Vibrations