Geometry & MOs

Info

ID:	198217
PubChem CID:	79067004
Reduced:	ON2C16H30 (1)
Stoich.:	AB2C16D30 (1)
Weight, g/mol:	315.11567
ΔH_f, kcal/mol:	-41.78
Dipole, Da:	3.64
IP(EA), eV:	-8.31(2.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dichlorophenyl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-ol

Drug info:

PubChemData

Smile

CCNC(CC1CC1)C2(CCCC2)N3CCOCC3

DOS

IR

Vibrations