Geometry & MOs

Info

ID:	198495
PubChem CID:	79108400
Reduced:	ON3C14H21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	236.188863
ΔH_f, kcal/mol:	-13.56
Dipole, Da:	3.65
IP(EA), eV:	-9.07(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2-pyrrolidin-1-ylethyl)pyrrol-3-yl]butan-1-ol

Drug info:

PubChemData

Smile

CCCC(C1=CN(C=C1)CC2=CN=CN2CC)O

DOS

IR

Vibrations