Geometry & MOs

Info

ID:	178860
PubChem CID:	76392145
Reduced:	FN3O3C21H24 (1)
Stoich.:	AB3C3D21E24 (1)
Weight, g/mol:	273.209264
ΔH_f, kcal/mol:	-48.64
Dipole, Da:	5.76
IP(EA), eV:	-8.68(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(cyclopropylmethyl)-3-(2-methylpropyl)pyrrolidin-3-yl]phenol

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1CNC(=C2CCNC(C2)OC3=CC(=CC=C3)F)N=O

DOS

IR

Vibrations