Geometry & MOs

Info

ID:	333180
PubChem CID:	127251728
Reduced:	ON2C10H14 (2)
Stoich.:	AB2C10D14 (2)
Weight, g/mol:	408.196154
ΔH_f, kcal/mol:	-40.4
Dipole, Da:	5.97
IP(EA), eV:	-8.74(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-N-[(2-methoxyphenyl)methyl]-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)CN1CCC(C1)C2=CC(=NN2)C(=O)NCC3=CC=CC=C3OC

DOS

IR

Vibrations