Geometry & MOs

Info

ID:	357483
PubChem CID:	127294116
Reduced:	N3O5C19H25 (1)
Stoich.:	A3B5C19D25 (1)
Weight, g/mol:	394.16166
ΔH_f, kcal/mol:	-181.49
Dipole, Da:	2.3
IP(EA), eV:	-8.43(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone

Drug info:

PubChemData

Smile

CN1CCOC(C1)CNC(=O)C2CCN(C2=O)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations