Geometry & MOs

Info

ID:	305947
PubChem CID:	124975391
Reduced:	O2N5C18H23 (1)
Stoich.:	A2B5C18D23 (1)
Weight, g/mol:	316.169939
ΔH_f, kcal/mol:	-40.12
Dipole, Da:	6.86
IP(EA), eV:	-8.51(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2S)-1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)N2CCC[C@H](C2)N(C)C(=O)C3=NC(=O)NC(=C3)C

DOS

IR

Vibrations