Geometry & MOs

Info

ID:	45428
PubChem CID:	10513194
Reduced:	NSC13H19 (1)
Stoich.:	ABC13D19 (1)
Weight, g/mol:	222.125594
ΔH_f, kcal/mol:	7.57
Dipole, Da:	1.02
IP(EA), eV:	-8.46(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2S)-2-(hydroxymethyl)-2-(phenylmethoxymethyl)cyclopropyl]methanol

Drug info:

PubChemData

Smile

C1CCN(CC1)C2CCCC3=C2SC=C3

DOS

IR

Vibrations