Geometry & MOs

Info

ID:	330168
PubChem CID:	127247155
Reduced:	ON5C16H23 (1)
Stoich.:	AB5C16D23 (1)
Weight, g/mol:	301.19026
ΔH_f, kcal/mol:	6.63
Dipole, Da:	4.87
IP(EA), eV:	-9.23(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-ethylimidazol-1-yl)-1-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=C(NN=C1)C2CCN(C2)C(=O)C3=NNC(=C3)C(C)(C)C

DOS

IR

Vibrations