Geometry & MOs

Info

ID:	325826
PubChem CID:	126685169
Reduced:	SCl3O3C21H21 (1)
Stoich.:	AB3C3D21E21 (1)
Weight, g/mol:	269.246713
ΔH_f, kcal/mol:	-124.61
Dipole, Da:	5.97
IP(EA), eV:	-9.82(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[1-(dimethylamino)ethylamino]-2,2,4-trimethylpentyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1[C@H]([C@@H]([C@H]([C@@H]1Cl)CCCC2=CC=C(S2)C(=O)O)/C=C/C3=CC(=CC(=C3)Cl)Cl)O

DOS

IR

Vibrations