Geometry & MOs

Info

ID:	45509
PubChem CID:	10514300
Reduced:	NOC7H7 (2)
Stoich.:	ABC7D7 (2)
Weight, g/mol:	242.188195
ΔH_f, kcal/mol:	-36.15
Dipole, Da:	3.49
IP(EA), eV:	-9.39(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-2-(2,6-dimethylhept-5-enyl)-1-(2-hydroxyethoxy)cyclopropan-1-ol

Drug info:

PubChemData

Smile

CC1=C(C=CC=N1)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations