Geometry & MOs

Info

ID:	59216
PubChem CID:	24775770
Reduced:	NO2H8C9 (2)
Stoich.:	AB2C8D9 (2)
Weight, g/mol:	112.088815
ΔH_f, kcal/mol:	-23.68
Dipole, Da:	6.65
IP(EA), eV:	-8.52(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropylbut-3-en-1-ol

Drug info:

PubChemData

Smile

CC1=CN([C@@H](CC1=O)C2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=C3O

DOS

IR

Vibrations