Geometry & MOs

Info

ID:	330177
PubChem CID:	127247164
Reduced:	ON4C18H18 (1)
Stoich.:	AB4C18D18 (1)
Weight, g/mol:	307.179696
ΔH_f, kcal/mol:	39.23
Dipole, Da:	4.59
IP(EA), eV:	-9.19(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(NN=C1)C2CCN(C2)C(=O)C3=NC4=CC=CC=C4C=C3

DOS

IR

Vibrations