Geometry & MOs

Info

ID:	243951
PubChem CID:	99302971
Reduced:	SN2F3O4C24H25 (1)
Stoich.:	AB2C3D4E24F25 (1)
Weight, g/mol:	414.101417
ΔH_f, kcal/mol:	-287.42
Dipole, Da:	5.79
IP(EA), eV:	-8.72(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chlorophenyl)-N-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CN(C[C@H]2CCCO2)C(=O)C[C@H]3C(=O)NC4=C(S3)C=CC(=C4)C(F)(F)F

DOS

IR

Vibrations