Geometry & MOs

Info

ID:	288528
PubChem CID:	104318754
Reduced:	ON2C10H22 (1)
Stoich.:	AB2C10D22 (1)
Weight, g/mol:	169.110279
ΔH_f, kcal/mol:	-72.43
Dipole, Da:	2.2
IP(EA), eV:	-8.68(2.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(hydroxymethyl)pyrrol-1-yl]butan-2-ol

Drug info:

PubChemData

Smile

CC1CN(CC(N1)C)CCC(C)O

DOS

IR

Vibrations