Geometry & MOs

Info

ID:	171506
PubChem CID:	75384467
Reduced:	OSN2C17H20 (1)
Stoich.:	ABC2D17E20 (1)
Weight, g/mol:	336.139782
ΔH_f, kcal/mol:	-7.91
Dipole, Da:	4.97
IP(EA), eV:	-9.04(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methylamino]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1(CCC2=CC=CC=C2C1)NCC3=CC(=CS3)C(=O)N

DOS

IR

Vibrations