Geometry & MOs

Info

ID:	256508
PubChem CID:	103139654
Reduced:	ClON2H11C15 (1)
Stoich.:	ABC2D11E15 (1)
Weight, g/mol:	222.173213
ΔH_f, kcal/mol:	35.47
Dipole, Da:	5.39
IP(EA), eV:	-8.36(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[(5-methyloxolan-2-yl)methyl]pyrrol-2-yl]propan-2-amine

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)OC2=C3C=NC=CC3=C(C=C2)N)Cl

DOS

IR

Vibrations