Geometry & MOs

Info

ID:	270
PubChem CID:	2467
Reduced:	NO4C17H25 (1)
Stoich.:	AB4C17D25 (1)
Weight, g/mol:	307.178358
ΔH_f, kcal/mol:	-151.04
Dipole, Da:	4.49
IP(EA), eV:	-8.59(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-pyrrolidin-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1)OC)C(=O)CCCN2CCCC2)OC

DOS

IR

Vibrations