Geometry & MOs

Info

ID:	229594
PubChem CID:	87568107
Reduced:	SN3O5C22H31 (1)
Stoich.:	AB3C5D22E31 (1)
Weight, g/mol:	197.060742
ΔH_f, kcal/mol:	-206.67
Dipole, Da:	7.25
IP(EA), eV:	-8.44(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chloropropylamino)benzaldehyde

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](C1CC2CCC(C1)N2C(=S)NC3=CC=CC=C3OC)C(=O)O

DOS

IR

Vibrations