Geometry & MOs

Info

ID:	243595
PubChem CID:	99233221
Reduced:	OF3N4C20H25 (1)
Stoich.:	AB3C4D20E25 (1)
Weight, g/mol:	356.155849
ΔH_f, kcal/mol:	-167.44
Dipole, Da:	7.21
IP(EA), eV:	-9.16(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[(2R)-2-propan-2-ylpyrrolidine-1-carbonyl]phenyl]methyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=NC=C(C=C2)C(F)(F)F)C)CC(=O)N3CCC[C@@H]3C(C)C

DOS

IR

Vibrations