Geometry & MOs

Info

ID:	129498
PubChem CID:	51072846
Reduced:	ON2C15H22 (1)
Stoich.:	AB2C15D22 (1)
Weight, g/mol:	247.157229
ΔH_f, kcal/mol:	-40.88
Dipole, Da:	3.2
IP(EA), eV:	-9.13(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-ethoxy-3-(pyrrolidin-1-ylmethyl)phenyl]ethanone

Drug info:

PubChemData

Smile

CCCCNC(=O)CN1CCC2=CC=CC=C2C1

DOS

IR

Vibrations