Geometry & MOs

Info

ID:	330197
PubChem CID:	127247184
Reduced:	ON3C20H25 (1)
Stoich.:	AB3C20D25 (1)
Weight, g/mol:	324.169859
ΔH_f, kcal/mol:	-16.52
Dipole, Da:	5.58
IP(EA), eV:	-9.13(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(benzotriazol-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)CC3=CC4=C(CCCC4)C=C3

DOS

IR

Vibrations