Geometry & MOs

Info

ID:	427315
PubChem CID:	135156961
Reduced:	SN6O6C38H50 (1)
Stoich.:	AB6C6D38E50 (1)
Weight, g/mol:	236.141244
ΔH_f, kcal/mol:	-195.15
Dipole, Da:	3.05
IP(EA), eV:	-8.02(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-phenylmethoxypropoxy)butanal

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)C(C(C)(C)C)NC(=O)COC4CC(C4)OC5=CC=C(C=C5)N6CCNCC6)O

DOS

IR

Vibrations