Geometry & MOs

Info

ID:	205927
PubChem CID:	80178573
Reduced:	ON3C17H27 (1)
Stoich.:	AB3C17D27 (1)
Weight, g/mol:	357.05896
ΔH_f, kcal/mol:	-55.32
Dipole, Da:	4.51
IP(EA), eV:	-8.32(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,3-diethylpyrrolidin-1-yl)-(4-iodophenyl)methanone

Drug info:

PubChemData

Smile

CCC1(CCN(C1)C(C)C(=O)NC2=CC=CC(=C2)N)CC

DOS

IR

Vibrations