Geometry & MOs

Info

ID:	233329
PubChem CID:	89650050
Reduced:	ClSN4C13H21 (1)
Stoich.:	ABC4D13E21 (1)
Weight, g/mol:	173.047678
ΔH_f, kcal/mol:	35.52
Dipole, Da:	3.62
IP(EA), eV:	-8.79(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(azet-3-yloxy)benzaldehyde

Drug info:

PubChemData

Smile

CC[C@@H]1[C@H](N=C(S1)NNC2=N[C@H]3[C@H](C3Cl)[C@H](C2)C)C

DOS

IR

Vibrations