Geometry & MOs

Info

ID:	330151
PubChem CID:	127247138
Reduced:	N4C17H20 (1)
Stoich.:	A4B17C20 (1)
Weight, g/mol:	283.168462
ΔH_f, kcal/mol:	69.18
Dipole, Da:	3.03
IP(EA), eV:	-8.46(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-ethylphenyl)-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(NN=C1)C2CCN(C2)CC3=CNC4=CC=CC=C43

DOS

IR

Vibrations