Geometry & MOs

Info

ID:	205260
PubChem CID:	80076528
Reduced:	NO2C5H7 (2)
Stoich.:	AB2C5D7 (2)
Weight, g/mol:	172.157563
ΔH_f, kcal/mol:	-103.56
Dipole, Da:	2.63
IP(EA), eV:	-9.97(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[azetidin-3-yl(ethyl)amino]butan-2-ol

Drug info:

PubChemData

Smile

CC1=CC(=O)N(C=C1[N+](=O)[O-])C(C)C(C)O

DOS

IR

Vibrations