Geometry & MOs

Info

ID:	257067
PubChem CID:	103143523
Reduced:	NO2C18H23 (1)
Stoich.:	AB2C18D23 (1)
Weight, g/mol:	199.157229
ΔH_f, kcal/mol:	-63.63
Dipole, Da:	3.3
IP(EA), eV:	-9.19(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1CCC(CC1)(C(C2=CC=CC3=C2C=NC=C3)O)OC

DOS

IR

Vibrations