Geometry & MOs

Info

ID:	160424
PubChem CID:	57309772
Reduced:	NSO2C27H31 (1)
Stoich.:	ABC2D27E31 (1)
Weight, g/mol:	141.078979
ΔH_f, kcal/mol:	-33.84
Dipole, Da:	4.15
IP(EA), eV:	-8.43(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dihydro-2H-pyrrol-2-ylmethyl acetate

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)C(=O)C2=CC3=C(C=C2)SC=C3C4CCC5CCCCN5CC4

DOS

IR

Vibrations