Geometry & MOs

Info

ID:	288539
PubChem CID:	104319015
Reduced:	N2O3C10H14 (1)
Stoich.:	A2B3C10D14 (1)
Weight, g/mol:	187.157229
ΔH_f, kcal/mol:	-110.95
Dipole, Da:	4.29
IP(EA), eV:	-9.16(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-hydroxybutyl)-3-propan-2-ylazetidin-3-ol

Drug info:

PubChemData

Smile

CC(CCOC(=O)C1=NC=C(C=C1)N)O

DOS

IR

Vibrations