Geometry & MOs

Info

ID:	403500
PubChem CID:	135060608
Reduced:	NO3C12H21 (1)
Stoich.:	AB3C12D21 (1)
Weight, g/mol:	190.135765
ΔH_f, kcal/mol:	-157.89
Dipole, Da:	1.77
IP(EA), eV:	-9.93(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[(1S,2R)-2-(2-phenylethyl)cyclopropyl]ethanol

Drug info:

PubChemData

Smile

CC(C)NC(=O)[C@@H]1C[C@H]1C(=O)OC(C)(C)C

DOS

IR

Vibrations