Geometry & MOs

Info

ID:	330141
PubChem CID:	127247128
Reduced:	O2N3C12H19 (1)
Stoich.:	A2B3C12D19 (1)
Weight, g/mol:	244.168797
ΔH_f, kcal/mol:	-63.73
Dipole, Da:	4.21
IP(EA), eV:	-9.32(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-5-[1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]-1H-pyrazole

Drug info:

PubChemData

Smile

CCOCC(=O)N1CCC(C1)C2=C(C=NN2)C

DOS

IR

Vibrations