Geometry & MOs

Info

ID:	177229
PubChem CID:	76148792
Reduced:	N3O3H19C21 (1)
Stoich.:	A3B3C19D21 (1)
Weight, g/mol:	417.166411
ΔH_f, kcal/mol:	-20.13
Dipole, Da:	2.54
IP(EA), eV:	-8.66(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-3-[4-(trifluoromethyl)phenyl]propanamide

Drug info:

PubChemData

Smile

C1CC(N(C1)C2=NC3=CC=CC=C3O2)CNC(=O)C4=CC5=CC=CC=C5O4

DOS

IR

Vibrations