Geometry & MOs

Info

ID:	436596
PubChem CID:	135205869
Reduced:	N3O4F6H23C29 (1)
Stoich.:	A3B4C6D23E29 (1)
Weight, g/mol:	347.163377
ΔH_f, kcal/mol:	-380.54
Dipole, Da:	7.65
IP(EA), eV:	-9.53(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(3-methoxyphenyl)-2,3-dihydroindole-1-carbonyl]pyrrolidine-1-carbonitrile

Drug info:

PubChemData

Smile

C[C@@H](C(F)(F)F)N(CC1=CC=C(C=C1)F)C(=O)CN2CO[C@@]3(C2=O)C(=O)CC4=C3C=CC(=C4)C5=NC(=CC=C5)C(F)F

DOS

IR

Vibrations