Geometry & MOs

Info

ID:	430096
PubChem CID:	135170153
Reduced:	F2N3O3C22H37 (1)
Stoich.:	A2B3C3D22E37 (1)
Weight, g/mol:	303.194677
ΔH_f, kcal/mol:	-259.89
Dipole, Da:	3.84
IP(EA), eV:	-8.64(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(aminomethyl)cyclopenten-1-yl]-4-methoxy-5-pyrrolidin-1-yloxyaniline

Drug info:

PubChemData

Smile

CCOC(=O)N1CCC2(C1)CC(C2)N3CCC(CC3)N4CC(C[C@@H]4CCOC)(F)F

DOS

IR

Vibrations