Geometry & MOs

Info

ID:	303375
PubChem CID:	124489597
Reduced:	N2F3O3H17C21 (1)
Stoich.:	A2B3C3D17E21 (1)
Weight, g/mol:	249.184112
ΔH_f, kcal/mol:	-187.61
Dipole, Da:	8.0
IP(EA), eV:	-9.68(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,5-dimethyl-N-propyl-N-[(3S)-pyrrolidin-3-yl]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations