Geometry & MOs

Info

ID:	390487
PubChem CID:	134999405
Reduced:	SN2O3H22C26 (1)
Stoich.:	AB2C3D22E26 (1)
Weight, g/mol:	204.151415
ΔH_f, kcal/mol:	43.39
Dipole, Da:	2.54
IP(EA), eV:	-9.32(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[(1S,2S)-2-phenylcyclopropyl]pentan-1-ol

Drug info:

PubChemData

Smile

CCOC(=O)/C(=N\OC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)/C4=CSC=N4

DOS

IR

Vibrations